CID 135052
4-mapc
Structural Information
- Molecular Formula
- C22H35NO3
- SMILES
- C[C@@H]([C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C)C(=O)O
- InChI
- InChI=1S/C22H35NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h13-18H,5-12H2,1-4H3,(H,25,26)/t13-,14?,15+,16?,17?,18+,21+,22+/m0/s1
- InChIKey
- SXZYCRORGALMIH-QPRFLPHOSA-N
- Compound name
- (2S)-2-[(1R,5aR,9aR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 362.26898 | 191.3 |
[M+Na]+ | 384.25092 | 194.7 |
[M-H]- | 360.25442 | 192.2 |
[M+NH4]+ | 379.29552 | 210.4 |
[M+K]+ | 400.22486 | 189.8 |
[M+H-H2O]+ | 344.25896 | 185.0 |
[M+HCOO]- | 406.25990 | 195.3 |
[M+CH3COO]- | 420.27555 | 218.0 |
[M+Na-2H]- | 382.23637 | 187.1 |
[M]+ | 361.26115 | 183.9 |
[M]- | 361.26225 | 183.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.