CID 212643
24629-75-2
Structural Information
- Molecular Formula
- C28H35NO4
- SMILES
- CC1(C2CCC1(C(C2)N(CC3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)C(=O)OC)C)C
- InChI
- InChI=1S/C28H35NO4/c1-27(2)23-14-15-28(27,3)24(16-23)29(17-19-6-10-21(11-7-19)25(30)32-4)18-20-8-12-22(13-9-20)26(31)33-5/h6-13,23-24H,14-18H2,1-5H3
- InChIKey
- SNSNFRJAASOUDB-UHFFFAOYSA-N
- Compound name
- methyl 4-[[(4-methoxycarbonylphenyl)methyl-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 450.26390 | 212.5 |
[M+Na]+ | 472.24584 | 217.0 |
[M-H]- | 448.24934 | 222.5 |
[M+NH4]+ | 467.29044 | 230.5 |
[M+K]+ | 488.21978 | 213.8 |
[M+H-H2O]+ | 432.25388 | 205.4 |
[M+HCOO]- | 494.25482 | 230.6 |
[M+CH3COO]- | 508.27047 | 237.9 |
[M+Na-2H]- | 470.23129 | 208.9 |
[M]+ | 449.25607 | 217.4 |
[M]- | 449.25717 | 217.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.