CID 698519

4-chloro-n-(2,6-dimethoxy-4-pyrimidinyl)benzamide

Structural Information

Molecular Formula
C13H12ClN3O3
SMILES
COC1=NC(=NC(=C1)NC(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C13H12ClN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKey
ZKDKGRZDSREORA-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.05673 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06401 162.3
[M+Na]+ 316.04595 171.8
[M-H]- 292.04945 166.9
[M+NH4]+ 311.09055 175.7
[M+K]+ 332.01989 167.7
[M+H-H2O]+ 276.05399 153.7
[M+HCOO]- 338.05493 180.6
[M+CH3COO]- 352.07058 202.1
[M+Na-2H]- 314.03140 167.8
[M]+ 293.05618 167.5
[M]- 293.05728 167.5
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.