CID 38460
4-phenyl-5-(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol maleate
Structural Information
- Molecular Formula
- C21H26ClNO2
- SMILES
- CN(C)CCCC1(C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3)O
- InChI
- InChI=1S/C21H26ClNO2/c1-23(2)13-6-12-21(24)18(16-7-4-3-5-8-16)11-14-25-20-15-17(22)9-10-19(20)21/h3-5,7-10,15,18,24H,6,11-14H2,1-2H3
- InChIKey
- UWXGLCVZTPMATR-UHFFFAOYSA-N
- Compound name
- 8-chloro-5-[3-(dimethylamino)propyl]-4-phenyl-3,4-dihydro-2H-1-benzoxepin-5-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 360.17248 | 185.4 |
[M+Na]+ | 382.15442 | 191.3 |
[M-H]- | 358.15792 | 193.7 |
[M+NH4]+ | 377.19902 | 199.7 |
[M+K]+ | 398.12836 | 191.3 |
[M+H-H2O]+ | 342.16246 | 178.6 |
[M+HCOO]- | 404.16340 | 199.2 |
[M+CH3COO]- | 418.17905 | 195.2 |
[M+Na-2H]- | 380.13987 | 188.8 |
[M]+ | 359.16465 | 185.5 |
[M]- | 359.16575 | 185.5 |
Literature stripe
No literature data available for this compound.