CID 29984

Carbanilic acid, o-chloro-, 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]+ 323.152076 177.3
[M+Na]+ 345.134018 180.4
[M-H]- 321.137524 184.0
[M+NH4]+ 340.178623 191.7
[M+K]+ 361.107958 175.4
[M+H-H2O]+ 305.142060 168.4
[M+HCOO]- 367.143001 190.3
[M+CH3COO]- 381.158651 204.8
[M+Na-2H]- 343.119466 175.8
[M]+ 322.14425142 172.6
[M]- 322.14534858 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.