CID 6481045

5-chloro-2-hydroxy-n-(4-methylpyrimidin-2-yl)benzamide

Structural Information

Molecular Formula
C12H10ClN3O2
SMILES
CC1=NC(=NC=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-6-8(13)2-3-10(9)17/h2-6,17H,1H3,(H,14,15,16,18)
InChIKey
WTHFLRMLXQAULG-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.04614 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05342 155.6
[M+Na]+ 286.03536 165.3
[M-H]- 262.03886 159.0
[M+NH4]+ 281.07996 169.6
[M+K]+ 302.00930 159.8
[M+H-H2O]+ 246.04340 147.7
[M+HCOO]- 308.04434 172.5
[M+CH3COO]- 322.05999 194.5
[M+Na-2H]- 284.02081 161.0
[M]+ 263.04559 157.2
[M]- 263.04669 157.2
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.