CID 29984

O-chlorocarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
C1CCC(C(C1)N2CCCC2)OC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H23ClN2O2/c18-13-7-1-2-8-14(13)19-17(21)22-16-10-4-3-9-15(16)20-11-5-6-12-20/h1-2,7-8,15-16H,3-6,9-12H2,(H,19,21)
InChIKey
VQDUGSDEJGDNOP-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1448 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 177.3
[M+Na]+ 345.13402 180.4
[M-H]- 321.13752 184.0
[M+NH4]+ 340.17862 191.7
[M+K]+ 361.10796 175.4
[M+H-H2O]+ 305.14206 168.4
[M+HCOO]- 367.14300 190.3
[M+CH3COO]- 381.15865 204.8
[M+Na-2H]- 343.11947 175.8
[M]+ 322.14425 172.6
[M]- 322.14535 172.6
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.