CID 37938
M-propoxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride
Structural Information
- Molecular Formula
- C20H30N2O3
- SMILES
- CCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCC3
- InChI
- InChI=1S/C20H30N2O3/c1-2-14-24-17-9-7-8-16(15-17)21-20(23)25-19-11-4-3-10-18(19)22-12-5-6-13-22/h7-9,15,18-19H,2-6,10-14H2,1H3,(H,21,23)/t18-,19-/m0/s1
- InChIKey
- XBMCYMUKGDLJMW-OALUTQOASA-N
- Compound name
- [(1S,2S)-2-pyrrolidin-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 347.23293 | 185.0 |
[M+Na]+ | 369.21487 | 185.6 |
[M-H]- | 345.21837 | 191.3 |
[M+NH4]+ | 364.25947 | 197.3 |
[M+K]+ | 385.18881 | 182.4 |
[M+H-H2O]+ | 329.22291 | 175.0 |
[M+HCOO]- | 391.22385 | 201.7 |
[M+CH3COO]- | 405.23950 | 212.2 |
[M+Na-2H]- | 367.20032 | 182.7 |
[M]+ | 346.22510 | 180.4 |
[M]- | 346.22620 | 180.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.