CID 99135
60634-41-5
Structural Information
- Molecular Formula
- C20H23BrN2S
- SMILES
- CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Br
- InChI
- InChI=1S/C20H23BrN2S/c1-22-12-5-4-6-16(22)11-13-23-17-7-2-3-8-19(17)24-20-10-9-15(21)14-18(20)23/h2-3,7-10,14,16H,4-6,11-13H2,1H3
- InChIKey
- HGXSRQXHKMFKJM-UHFFFAOYSA-N
- Compound name
- 2-bromo-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.08382 | 180.1 |
[M+Na]+ | 425.06576 | 189.6 |
[M-H]- | 401.06926 | 186.9 |
[M+NH4]+ | 420.11036 | 195.1 |
[M+K]+ | 441.03970 | 175.9 |
[M+H-H2O]+ | 385.07380 | 178.3 |
[M+HCOO]- | 447.07474 | 187.4 |
[M+CH3COO]- | 461.09039 | 190.7 |
[M+Na-2H]- | 423.05121 | 183.5 |
[M]+ | 402.07599 | 196.7 |
[M]- | 402.07709 | 196.7 |
Literature stripe
No literature data available for this compound.