CID 65906
Mizolastine
Structural Information
- Molecular Formula
- C24H25FN6O
- SMILES
- CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5
- InChI
- InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
- InChIKey
- PVLJETXTTWAYEW-UHFFFAOYSA-N
- Compound name
- 2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 433.21468 | 204.7 |
[M+Na]+ | 455.19662 | 211.9 |
[M-H]- | 431.20012 | 210.5 |
[M+NH4]+ | 450.24122 | 208.9 |
[M+K]+ | 471.17056 | 202.8 |
[M+H-H2O]+ | 415.20466 | 189.6 |
[M+HCOO]- | 477.20560 | 217.8 |
[M+CH3COO]- | 491.22125 | 211.2 |
[M+Na-2H]- | 453.18207 | 205.3 |
[M]+ | 432.20685 | 201.3 |
[M]- | 432.20795 | 201.3 |