CID 34509

O-chlorocarbanilic acid 2-morpholinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C17H23ClN2O3
SMILES
C1CCC(C(C1)N2CCOCC2)OC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H23ClN2O3/c18-13-5-1-2-6-14(13)19-17(21)23-16-8-4-3-7-15(16)20-9-11-22-12-10-20/h1-2,5-6,15-16H,3-4,7-12H2,(H,19,21)
InChIKey
RZAYDJOEQZTDJP-UHFFFAOYSA-N
Compound name
(2-morpholin-4-ylcyclohexyl) N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1397 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14698 179.9
[M+Na]+ 361.12892 182.0
[M-H]- 337.13242 186.7
[M+NH4]+ 356.17352 190.2
[M+K]+ 377.10286 178.8
[M+H-H2O]+ 321.13696 170.3
[M+HCOO]- 383.13790 189.9
[M+CH3COO]- 397.15355 207.8
[M+Na-2H]- 359.11437 180.8
[M]+ 338.13915 175.1
[M]- 338.14025 175.1
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.