CID 34739

O-methylcarbanilic acid 2-morpholinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC1=CC=CC=C1NC(=O)OC2CCCCC2N3CCOCC3
InChI
InChI=1S/C18H26N2O3/c1-14-6-2-3-7-15(14)19-18(21)23-17-9-5-4-8-16(17)20-10-12-22-13-11-20/h2-3,6-7,16-17H,4-5,8-13H2,1H3,(H,19,21)
InChIKey
LREMUNWUOPEMCJ-UHFFFAOYSA-N
Compound name
(2-morpholin-4-ylcyclohexyl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 178.5
[M+Na]+ 341.18356 188.9
[M+NH4]+ 336.22816 185.7
[M+K]+ 357.15750 182.6
[M-H]- 317.18706 185.0
[M+Na-2H]- 339.16901 184.3
[M]+ 318.19379 181.5
[M]- 318.19489 181.5
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.