PubChemLite - 1800205-94-0 (C23H34N2O2)

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=C4[C@@]3(C=CC(=O)N4)C

InChI

InChI=1S/C23H34N2O2/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/h9,11,13-17H,6-8,10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1

InChIKey

LNFKNSWOVCPIGC-FIIPNDBVSA-N

Compound name

(1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,9b,10,11-decahydroindeno[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]+	371.26930	193.7
[M+Na]+	393.25124	198.0
[M-H]-	369.25474	195.2
[M+NH4]+	388.29584	212.5
[M+K]+	409.22518	192.2
[M+H-H2O]+	353.25928	187.2
[M+HCOO]-	415.26022	200.8
[M+CH3COO]-	429.27587	219.9
[M+Na-2H]-	391.23669	194.6
[M]+	370.26147	187.2
[M]-	370.26257	187.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.26930

193.7

[M+Na]+

393.25124

198.0

[M-H]-

369.25474

195.2

[M+NH4]+

388.29584

212.5

[M+K]+

409.22518

192.2

[M+H-H2O]+

353.25928

187.2

[M+HCOO]-

415.26022

200.8

[M+CH3COO]-

429.27587

219.9

[M+Na-2H]-

391.23669

194.6

[M]+

370.26147

187.2

[M]-

370.26257

187.2

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

1800205-94-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe