CID 39954696

N-benzyl-4-chloro-n-methylpyridine-2-carboxamide

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CN(CC1=CC=CC=C1)C(=O)C2=NC=CC(=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-17(10-11-5-3-2-4-6-11)14(18)13-9-12(15)7-8-16-13/h2-9H,10H2,1H3
InChIKey
USOMMFZREHAMAK-UHFFFAOYSA-N
Compound name
N-benzyl-4-chloro-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07166 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 156.9
[M+Na]+ 283.06088 164.6
[M-H]- 259.06438 163.4
[M+NH4]+ 278.10548 173.2
[M+K]+ 299.03482 160.4
[M+H-H2O]+ 243.06892 148.8
[M+HCOO]- 305.06986 176.3
[M+CH3COO]- 319.08551 199.1
[M+Na-2H]- 281.04633 162.3
[M]+ 260.07111 159.7
[M]- 260.07221 159.7
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.