CID 5220589

3-pyridylmethyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN=CC=C2
InChI
InChI=1S/C13H11ClN2O2/c14-11-4-1-5-12(7-11)16-13(17)18-9-10-3-2-6-15-8-10/h1-8H,9H2,(H,16,17)
InChIKey
FSQVPYCYDLWQNV-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 155.6
[M+Na]+ 285.04012 163.5
[M-H]- 261.04362 160.9
[M+NH4]+ 280.08472 171.2
[M+K]+ 301.01406 158.8
[M+H-H2O]+ 245.04816 147.8
[M+HCOO]- 307.04910 175.1
[M+CH3COO]- 321.06475 194.2
[M+Na-2H]- 283.02557 162.3
[M]+ 262.05035 158.1
[M]- 262.05145 158.1
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.