CID 18346
Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate
Structural Information
- Molecular Formula
- C20H30N2O3
- SMILES
- CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)N2CCCCC2)C
- InChI
- InChI=1S/C20H30N2O3/c1-5-11-25-20(24)17-12-14(2)18(15(3)13-17)21-19(23)16(4)22-9-7-6-8-10-22/h12-13,16H,5-11H2,1-4H3,(H,21,23)
- InChIKey
- VINGBCGTJRDHTB-UHFFFAOYSA-N
- Compound name
- propyl 3,5-dimethyl-4-(2-piperidin-1-ylpropanoylamino)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 347.23293 | 186.5 |
[M+Na]+ | 369.21487 | 188.9 |
[M-H]- | 345.21837 | 190.4 |
[M+NH4]+ | 364.25947 | 197.8 |
[M+K]+ | 385.18881 | 186.3 |
[M+H-H2O]+ | 329.22291 | 177.4 |
[M+HCOO]- | 391.22385 | 202.2 |
[M+CH3COO]- | 405.23950 | 218.1 |
[M+Na-2H]- | 367.20032 | 183.3 |
[M]+ | 346.22510 | 185.3 |
[M]- | 346.22620 | 185.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.