CID 3867896

N-(2,6-dimethoxy-4-pyrimidinyl)benzamide

Structural Information

Molecular Formula
C13H13N3O3
SMILES
COC1=NC(=NC(=C1)NC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C13H13N3O3/c1-18-11-8-10(15-13(16-11)19-2)14-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKey
KHTWANKRBONEDH-UHFFFAOYSA-N
Compound name
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.0957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 156.9
[M+Na]+ 282.08492 164.8
[M-H]- 258.08842 161.3
[M+NH4]+ 277.12952 170.5
[M+K]+ 298.05886 162.2
[M+H-H2O]+ 242.09296 147.5
[M+HCOO]- 304.09390 179.8
[M+CH3COO]- 318.10955 197.2
[M+Na-2H]- 280.07037 163.5
[M]+ 259.09515 159.5
[M]- 259.09625 159.5
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

patents stripe