CID 3151
Domperidone
Structural Information
- Molecular Formula
- C22H24ClN5O2
- SMILES
- C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
- InChI
- InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
- InChIKey
- FGXWKSZFVQUSTL-UHFFFAOYSA-N
- Compound name
- 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 426.16915 | 201.9 |
[M+Na]+ | 448.15109 | 212.7 |
[M-H]- | 424.15459 | 205.4 |
[M+NH4]+ | 443.19569 | 210.1 |
[M+K]+ | 464.12503 | 202.3 |
[M+H-H2O]+ | 408.15913 | 190.6 |
[M+HCOO]- | 470.16007 | 210.4 |
[M+CH3COO]- | 484.17572 | 209.5 |
[M+Na-2H]- | 446.13654 | 200.2 |
[M]+ | 425.16132 | 203.5 |
[M]- | 425.16242 | 203.5 |