PubChemLite - 103497-68-3 (C23H35NO2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H35NO2/c1-14(2)13-19(25)18-7-6-16-15-5-8-20-23(4,12-10-21(26)24-20)17(15)9-11-22(16,18)3/h10,12,14-18,20H,5-9,11,13H2,1-4H3,(H,24,26)/t15-,16-,17-,18+,20+,22-,23+/m0/s1

InChIKey

RDPJISLOFXUIDK-RLAPWRJVSA-N

Compound name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(3-methylbutanoyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

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]+	358.27406	192.7
[M+Na]+	380.25600	200.2
[M+NH4]+	375.30060	203.5
[M+K]+	396.22994	191.5
[M-H]-	356.25950	193.6
[M+Na-2H]-	378.24145	193.0
[M]+	357.26623	194.0
[M]-	357.26733	194.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.27406

192.7

[M+Na]+

380.25600

200.2

[M+NH4]+

375.30060

203.5

[M+K]+

396.22994

191.5

[M-H]-

356.25950

193.6

[M+Na-2H]-

378.24145

193.0

[M]+

357.26623

194.0

[M]-

357.26733

194.0

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

103497-68-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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