CID 10114519
Dehydroaripiprazole
Structural Information
- Molecular Formula
- C23H25Cl2N3O2
- SMILES
- C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl
- InChI
- InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)
- InChIKey
- CDONPRYEWWPREK-UHFFFAOYSA-N
- Compound name
- 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 446.13968 | 204.8 |
[M+Na]+ | 468.12162 | 211.9 |
[M-H]- | 444.12512 | 207.7 |
[M+NH4]+ | 463.16622 | 211.0 |
[M+K]+ | 484.09556 | 202.5 |
[M+H-H2O]+ | 428.12966 | 192.6 |
[M+HCOO]- | 490.13060 | 207.7 |
[M+CH3COO]- | 504.14625 | 210.9 |
[M+Na-2H]- | 466.10707 | 205.0 |
[M]+ | 445.13185 | 205.7 |
[M]- | 445.13295 | 205.7 |