CID 6918127

103497-68-3

Structural Information

Molecular Formula
C23H35NO2
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

compound 2d structure
1
Annotation Hits

5
References

37
Patents

357.26678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.