CID 30376

2-chloro-6-methylcarbanilic acid (1-methyl-3-piperidyl)methyl ester

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OCC2CCCN(C2)C
InChI
InChI=1S/C15H21ClN2O2/c1-11-5-3-7-13(16)14(11)17-15(19)20-10-12-6-4-8-18(2)9-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19)
InChIKey
FNYBVUDJEVSBRT-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 169.3
[M+Na]+ 319.11837 175.1
[M-H]- 295.12187 173.8
[M+NH4]+ 314.16297 183.9
[M+K]+ 335.09231 170.7
[M+H-H2O]+ 279.12641 161.6
[M+HCOO]- 341.12735 183.8
[M+CH3COO]- 355.14300 203.6
[M+Na-2H]- 317.10382 170.4
[M]+ 296.12860 169.0
[M]- 296.12970 169.0
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.