CID 24212947

2-chloro-n-(4-methyl-2-pyrimidinyl)benzamide

Structural Information

Molecular Formula
C12H10ClN3O
SMILES
CC1=NC(=NC=C1)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H10ClN3O/c1-8-6-7-14-12(15-8)16-11(17)9-4-2-3-5-10(9)13/h2-7H,1H3,(H,14,15,16,17)
InChIKey
LMBNKPPOTPILKF-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylpyrimidin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05124 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05852 152.7
[M+Na]+ 270.04046 168.2
[M+NH4]+ 265.08506 160.8
[M+K]+ 286.01440 160.5
[M-H]- 246.04396 156.6
[M+Na-2H]- 268.02591 162.4
[M]+ 247.05069 156.3
[M]- 247.05179 156.3
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.