CID 34513

2-chloro-6-methylcarbanilic acid 2-morpholinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H25ClN2O3
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2N3CCOCC3
InChI
InChI=1S/C18H25ClN2O3/c1-13-5-4-6-14(19)17(13)20-18(22)24-16-8-3-2-7-15(16)21-9-11-23-12-10-21/h4-6,15-16H,2-3,7-12H2,1H3,(H,20,22)
InChIKey
UXOTWJIALUOYOO-UHFFFAOYSA-N
Compound name
(2-morpholin-4-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.15536 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16264 185.0
[M+Na]+ 375.14458 187.7
[M-H]- 351.14808 192.0
[M+NH4]+ 370.18918 195.1
[M+K]+ 391.11852 184.3
[M+H-H2O]+ 335.15262 175.4
[M+HCOO]- 397.15356 194.6
[M+CH3COO]- 411.16921 212.0
[M+Na-2H]- 373.13003 184.7
[M]+ 352.15481 180.9
[M]- 352.15591 180.9
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.