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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.