CID 3063305
2-benzimidazolinone, 1-allyl-3-(1-(3,3-diphenyl-4-oxohexyl)-4-piperidyl)-
Structural Information
- Molecular Formula
- C33H37N3O2
- SMILES
- CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CC=C)(C4=CC=CC=C4)C5=CC=CC=C5
- InChI
- InChI=1S/C33H37N3O2/c1-3-22-35-29-17-11-12-18-30(29)36(32(35)38)28-19-23-34(24-20-28)25-21-33(31(37)4-2,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h3,5-18,28H,1,4,19-25H2,2H3
- InChIKey
- AVWSMSULFQTBPH-UHFFFAOYSA-N
- Compound name
- 1-[1-(4-oxo-3,3-diphenylhexyl)piperidin-4-yl]-3-prop-2-enylbenzimidazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 508.29585 | 230.9 |
[M+Na]+ | 530.27779 | 234.3 |
[M-H]- | 506.28129 | 238.8 |
[M+NH4]+ | 525.32239 | 234.4 |
[M+K]+ | 546.25173 | 225.1 |
[M+H-H2O]+ | 490.28583 | 216.9 |
[M+HCOO]- | 552.28677 | 242.3 |
[M+CH3COO]- | 566.30242 | 235.7 |
[M+Na-2H]- | 528.26324 | 228.1 |
[M]+ | 507.28802 | 229.5 |
[M]- | 507.28912 | 229.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.