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]+ 248.058516 152.3
[M+Na]+ 270.040458 161.6
[M-H]- 246.043964 156.6
[M+NH4]+ 265.085063 167.5
[M+K]+ 286.014398 156.4
[M+H-H2O]+ 230.048500 144.0
[M+HCOO]- 292.049441 170.5
[M+CH3COO]- 306.065091 193.6
[M+Na-2H]- 268.025906 158.9
[M]+ 247.05069142 153.9
[M]- 247.05178858 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.