CID 18347
Brn 2396651
Structural Information
- Molecular Formula
- C20H30N2O3
- SMILES
- CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CNC2CCCCC2)C
- InChI
- InChI=1S/C20H30N2O3/c1-4-10-25-20(24)16-11-14(2)19(15(3)12-16)22-18(23)13-21-17-8-6-5-7-9-17/h11-12,17,21H,4-10,13H2,1-3H3,(H,22,23)
- InChIKey
- QFXWDDQXKGACFE-UHFFFAOYSA-N
- Compound name
- propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 347.23293 | 186.1 |
[M+Na]+ | 369.21487 | 187.9 |
[M-H]- | 345.21837 | 191.2 |
[M+NH4]+ | 364.25947 | 198.4 |
[M+K]+ | 385.18881 | 185.0 |
[M+H-H2O]+ | 329.22291 | 177.3 |
[M+HCOO]- | 391.22385 | 205.1 |
[M+CH3COO]- | 405.23950 | 219.7 |
[M+Na-2H]- | 367.20032 | 184.3 |
[M]+ | 346.22510 | 184.2 |
[M]- | 346.22620 | 184.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.