PubChemLite - Ns00116719 (C23H36N2O3)

Structural Information

Molecular Formula

SMILES

CC12CCC3C(C1CCC2C(=O)NC(C)(C)CO)CCC4C3(C=CC(=O)N4)C

InChI

InChI=1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)

InChIKey

MFUJYZCMHDCXGQ-UHFFFAOYSA-N

Compound name

N-(1-hydroxy-2-methylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[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]+	389.27986	197.3
[M+Na]+	411.26180	199.9
[M-H]-	387.26530	196.8
[M+NH4]+	406.30640	214.4
[M+K]+	427.23574	194.3
[M+H-H2O]+	371.26984	191.4
[M+HCOO]-	433.27078	201.5
[M+CH3COO]-	447.28643	221.1
[M+Na-2H]-	409.24725	197.4
[M]+	388.27203	189.3
[M]-	388.27313	189.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.27986

197.3

[M+Na]+

411.26180

199.9

[M-H]-

387.26530

196.8

[M+NH4]+

406.30640

214.4

[M+K]+

427.23574

194.3

[M+H-H2O]+

371.26984

191.4

[M+HCOO]-

433.27078

201.5

[M+CH3COO]-

447.28643

221.1

[M+Na-2H]-

409.24725

197.4

[M]+

388.27203

189.3

[M]-

388.27313

189.3

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

Ns00116719

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe