PubChemLite - (4ar,4bs,6as,7s,9as,9bs,11ar)-n-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide (C23H38N2O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(CCC(=O)N4)C

InChI

InChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1

InChIKey

ZOIUUCNFVDJSJK-WSBQPABSSA-N

Compound name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	375.30061	195.9
[M+Na]+	397.28255	198.1
[M-H]-	373.28605	196.3
[M+NH4]+	392.32715	214.2
[M+K]+	413.25649	192.6
[M+H-H2O]+	357.29059	189.6
[M+HCOO]-	419.29153	199.9
[M+CH3COO]-	433.30718	220.8
[M+Na-2H]-	395.26800	194.8
[M]+	374.29278	186.5
[M]-	374.29388	186.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

375.30061

195.9

[M+Na]+

397.28255

198.1

[M-H]-

373.28605

196.3

[M+NH4]+

392.32715

214.2

[M+K]+

413.25649

192.6

[M+H-H2O]+

357.29059

189.6

[M+HCOO]-

419.29153

199.9

[M+CH3COO]-

433.30718

220.8

[M+Na-2H]-

395.26800

194.8

[M]+

374.29278

186.5

[M]-

374.29388

186.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(4ar,4bs,6as,7s,9as,9bs,11ar)-n-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe