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	192.4
[M+Na]+	380.25600	195.6
[M-H]-	356.25950	193.3
[M+NH4]+	375.30060	211.5
[M+K]+	396.22994	189.6
[M+H-H2O]+	340.26404	185.3
[M+HCOO]-	402.26498	197.4
[M+CH3COO]-	416.28063	217.0
[M+Na-2H]-	378.24145	188.8
[M]+	357.26623	184.8
[M]-	357.26733	184.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.27406

192.4

[M+Na]+

380.25600

195.6

[M-H]-

356.25950

193.3

[M+NH4]+

375.30060

211.5

[M+K]+

396.22994

189.6

[M+H-H2O]+

340.26404

185.3

[M+HCOO]-

402.26498

197.4

[M+CH3COO]-

416.28063

217.0

[M+Na-2H]-

378.24145

188.8

[M]+

357.26623

184.8

[M]-

357.26733

184.8

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

Literature stripe

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