CID 30371

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

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CCN1CCC(C1)COC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C15H21ClN2O2/c1-3-18-8-7-12(9-18)10-20-15(19)17-14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19)
InChIKey
YTMLPMPNJWJWNR-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-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 170.6
[M+Na]+ 319.11837 177.2
[M-H]- 295.12187 175.5
[M+NH4]+ 314.16297 187.1
[M+K]+ 335.09231 172.6
[M+H-H2O]+ 279.12641 163.2
[M+HCOO]- 341.12735 187.2
[M+CH3COO]- 355.14300 203.0
[M+Na-2H]- 317.10382 170.1
[M]+ 296.12860 172.3
[M]- 296.12970 172.3
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.