CID 516321
Chembl355795
Structural Information
- Molecular Formula
- C37H50N4O2
- SMILES
- CCC1=NN(C(=C1)CCC2=CC=CC=C2)C3CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)[C@H](C6CCCCC6)C(=O)O
- InChI
- InChI=1S/C37H50N4O2/c1-2-32-24-34(19-18-28-12-6-3-7-13-28)41(38-32)33-20-22-39(23-21-33)25-31-26-40(27-35(31)29-14-8-4-9-15-29)36(37(42)43)30-16-10-5-11-17-30/h3-4,6-9,12-15,24,30-31,33,35-36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t31-,35+,36+/m0/s1
- InChIKey
- QCJIDJDKLOGYDO-BTLFPPEZSA-N
- Compound name
- (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-ethyl-5-(2-phenylethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 583.40068 | 243.0 |
[M+Na]+ | 605.38262 | 238.6 |
[M-H]- | 581.38612 | 251.7 |
[M+NH4]+ | 600.42722 | 241.1 |
[M+K]+ | 621.35656 | 230.5 |
[M+H-H2O]+ | 565.39066 | 227.6 |
[M+HCOO]- | 627.39160 | 246.0 |
[M+CH3COO]- | 641.40725 | 243.4 |
[M+Na-2H]- | 603.36807 | 228.2 |
[M]+ | 582.39285 | 232.3 |
[M]- | 582.39395 | 232.3 |
Literature stripe
Patent stripe
No patent data available for this compound.