CID 146061

390 msd

Structural Information

Molecular Formula
C25H42N2O2
SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4)C)C
InChI
InChI=1S/C25H42N2O2/c1-15(2)27(16(3)4)23(29)20-9-8-18-17-7-10-21-25(6,14-12-22(28)26-21)19(17)11-13-24(18,20)5/h15-21H,7-14H2,1-6H3,(H,26,28)/t17-,18-,19-,20+,21+,24-,25+/m0/s1
InChIKey
KFZWDYQMBIYWFQ-QKONGSNMSA-N
Compound name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N,N-di(propan-2-yl)-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

402.32462 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.33190 203.2
[M+Na]+ 425.31384 207.8
[M+NH4]+ 420.35844 213.1
[M+K]+ 441.28778 200.8
[M-H]- 401.31734 204.0
[M+Na-2H]- 423.29929 202.1
[M]+ 402.32407 203.9
[M]- 402.32517 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe