CID 2713392

6-chloro-n-(2,4-dimethoxyphenyl)nicotinamide

Structural Information

Molecular Formula
C14H13ClN2O3
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CN=C(C=C2)Cl)OC
InChI
InChI=1S/C14H13ClN2O3/c1-19-10-4-5-11(12(7-10)20-2)17-14(18)9-3-6-13(15)16-8-9/h3-8H,1-2H3,(H,17,18)
InChIKey
IYHABNQNOJTSNS-UHFFFAOYSA-N
Compound name
6-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

292.06146 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06874 163.4
[M+Na]+ 315.05068 178.1
[M+NH4]+ 310.09528 170.9
[M+K]+ 331.02462 171.0
[M-H]- 291.05418 167.2
[M+Na-2H]- 313.03613 172.0
[M]+ 292.06091 166.9
[M]- 292.06201 166.9
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

patents stripe