CID 6445894
51493-26-6
Structural Information
- Molecular Formula
- C31H34N4O
- SMILES
- CC1=CC=C(C=C1)C(=O)CCN2C3=CC=CC=C3N=C2CN4CCN(CC4)C/C=C/C5=CC=CC=C5
- InChI
- InChI=1S/C31H34N4O/c1-25-13-15-27(16-14-25)30(36)17-19-35-29-12-6-5-11-28(29)32-31(35)24-34-22-20-33(21-23-34)18-7-10-26-8-3-2-4-9-26/h2-16H,17-24H2,1H3/b10-7+
- InChIKey
- AFBZZOZUNBLTJS-JXMROGBWSA-N
- Compound name
- 1-(4-methylphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 479.28053 | 223.6 |
[M+Na]+ | 501.26247 | 227.6 |
[M-H]- | 477.26597 | 230.1 |
[M+NH4]+ | 496.30707 | 227.0 |
[M+K]+ | 517.23641 | 217.5 |
[M+H-H2O]+ | 461.27051 | 208.4 |
[M+HCOO]- | 523.27145 | 235.6 |
[M+CH3COO]- | 537.28710 | 228.4 |
[M+Na-2H]- | 499.24792 | 220.6 |
[M]+ | 478.27270 | 221.7 |
[M]- | 478.27380 | 221.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.