CID 9958101
2-[4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester
Structural Information
- Molecular Formula
- C33H39NO4
- SMILES
- CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC
- InChI
- InChI=1S/C33H39NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,37H,10,15,20-24H2,1-3H3
- InChIKey
- PGQMZSGBFIPEKX-UHFFFAOYSA-N
- Compound name
- methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 514.29518 | 227.5 |
[M+Na]+ | 536.27712 | 226.3 |
[M-H]- | 512.28062 | 234.6 |
[M+NH4]+ | 531.32172 | 229.5 |
[M+K]+ | 552.25106 | 221.1 |
[M+H-H2O]+ | 496.28516 | 215.3 |
[M+HCOO]- | 558.28610 | 236.3 |
[M+CH3COO]- | 572.30175 | 242.2 |
[M+Na-2H]- | 534.26257 | 226.0 |
[M]+ | 513.28735 | 224.3 |
[M]- | 513.28845 | 224.3 |