CID 37963

P-propoxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCOC1=CC=C(C=C1)NC(=O)OC2CCCCC2N3CCCC3
InChI
InChI=1S/C20H30N2O3/c1-2-15-24-17-11-9-16(10-12-17)21-20(23)25-19-8-4-3-7-18(19)22-13-5-6-14-22/h9-12,18-19H,2-8,13-15H2,1H3,(H,21,23)
InChIKey
IBIVEXFXLUXXPV-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(4-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 187.1
[M+Na]+ 369.21487 195.5
[M+NH4]+ 364.25947 193.8
[M+K]+ 385.18881 190.7
[M-H]- 345.21837 191.4
[M+Na-2H]- 367.20032 192.0
[M]+ 346.22510 189.1
[M]- 346.22620 189.1
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.