CID 443037
Chlorpromazine n-oxide
Structural Information
- Molecular Formula
- C17H19ClN2OS
- SMILES
- C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[O-]
- InChI
- InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3
- InChIKey
- LFDFWIIFGRXCFR-UHFFFAOYSA-N
- Compound name
- 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.09795 | 172.7 |
[M+Na]+ | 357.07989 | 180.0 |
[M-H]- | 333.08339 | 175.9 |
[M+NH4]+ | 352.12449 | 188.3 |
[M+K]+ | 373.05383 | 169.1 |
[M+H-H2O]+ | 317.08793 | 170.5 |
[M+HCOO]- | 379.08887 | 181.6 |
[M+CH3COO]- | 393.10452 | 204.4 |
[M+Na-2H]- | 355.06534 | 180.1 |
[M]+ | 334.09012 | 174.8 |
[M]- | 334.09122 | 174.8 |