CID 30107

2,6-dichlorocarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C17H22Cl2N2O2
SMILES
C1CCC(C(C1)N2CCCC2)OC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O2/c18-12-6-5-7-13(19)16(12)20-17(22)23-15-9-2-1-8-14(15)21-10-3-4-11-21/h5-7,14-15H,1-4,8-11H2,(H,20,22)
InChIKey
YRIYIYHBILINOC-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11311 184.6
[M+Na]+ 379.09505 189.0
[M-H]- 355.09855 190.9
[M+NH4]+ 374.13965 198.4
[M+K]+ 395.06899 182.9
[M+H-H2O]+ 339.10309 176.4
[M+HCOO]- 401.10403 192.5
[M+CH3COO]- 415.11968 210.2
[M+Na-2H]- 377.08050 181.6
[M]+ 356.10528 181.7
[M]- 356.10638 181.7
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.