CID 698520

3-bromo-n-(2,6-dimethoxypyrimidin-4-yl)benzamide

Structural Information

Molecular Formula
C13H12BrN3O3
SMILES
COC1=NC(=NC(=C1)NC(=O)C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C13H12BrN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKey
FOFWQMUXAVEPQT-UHFFFAOYSA-N
Compound name
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

337.0062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.013476 163.2
[M+Na]+ 359.995418 174.2
[M-H]- 335.998924 170.1
[M+NH4]+ 355.040023 177.7
[M+K]+ 375.969358 163.2
[M+H-H2O]+ 320.003460 160.1
[M+HCOO]- 382.004401 183.5
[M+CH3COO]- 396.020051 207.1
[M+Na-2H]- 357.980866 170.0
[M]+ 337.00565142 184.5
[M]- 337.00674858 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe