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 152.3
[M+Na]+ 270.04046 161.6
[M-H]- 246.04396 156.6
[M+NH4]+ 265.08506 167.5
[M+K]+ 286.01440 156.4
[M+H-H2O]+ 230.04850 144.0
[M+HCOO]- 292.04944 170.5
[M+CH3COO]- 306.06509 193.6
[M+Na-2H]- 268.02591 158.9
[M]+ 247.05069 153.9
[M]- 247.05179 153.9
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

No patent data available for this compound.