CID 28800

2-chloro-6-methylcarbanilic acid (1-methyl-2-pyrrolidinyl)methyl ester

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OCC2CCCN2C
InChI
InChI=1S/C14H19ClN2O2/c1-10-5-3-7-12(15)13(10)16-14(18)19-9-11-6-4-8-17(11)2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,16,18)
InChIKey
WDJNLCAIHUVNLX-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 166.0
[M+Na]+ 305.10272 173.1
[M-H]- 281.10622 171.1
[M+NH4]+ 300.14732 183.1
[M+K]+ 321.07666 168.7
[M+H-H2O]+ 265.11076 158.8
[M+HCOO]- 327.11170 183.0
[M+CH3COO]- 341.12735 200.1
[M+Na-2H]- 303.08817 166.1
[M]+ 282.11295 167.3
[M]- 282.11405 167.3
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.