CID 15992
Ksd 2481
Structural Information
- Molecular Formula
- C29H31NO3
- SMILES
- C1CC2CC(CC(C1)N2CC3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
- InChI
- InChI=1S/C29H31NO3/c31-28(29(32,23-13-6-2-7-14-23)24-15-8-3-9-16-24)33-27-19-25-17-10-18-26(20-27)30(25)21-22-11-4-1-5-12-22/h1-9,11-16,25-27,32H,10,17-21H2
- InChIKey
- ARUBUBJNDDZSTJ-UHFFFAOYSA-N
- Compound name
- (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 442.23768 | 208.0 |
[M+Na]+ | 464.21962 | 208.0 |
[M-H]- | 440.22312 | 214.4 |
[M+NH4]+ | 459.26422 | 214.4 |
[M+K]+ | 480.19356 | 201.6 |
[M+H-H2O]+ | 424.22766 | 195.6 |
[M+HCOO]- | 486.22860 | 216.8 |
[M+CH3COO]- | 500.24425 | 212.9 |
[M+Na-2H]- | 462.20507 | 209.8 |
[M]+ | 441.22985 | 201.4 |
[M]- | 441.23095 | 201.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.