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 162.8
[M+Na]+ 315.05068 171.9
[M-H]- 291.05418 168.6
[M+NH4]+ 310.09528 177.6
[M+K]+ 331.02462 167.7
[M+H-H2O]+ 275.05872 154.9
[M+HCOO]- 337.05966 182.1
[M+CH3COO]- 351.07531 202.3
[M+Na-2H]- 313.03613 167.6
[M]+ 292.06091 167.9
[M]- 292.06201 167.9
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