CID 62958019

1282733-39-4

Structural Information

Molecular Formula
C12H10ClN3O2
SMILES
CC1=NC(=NC=C1)NC2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-8-2-3-10(13)9(6-8)11(17)18/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKey
BPZVDCIVFNYMOZ-UHFFFAOYSA-N
Compound name
2-chloro-5-[(4-methylpyrimidin-2-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 156.1
[M+Na]+ 286.03536 170.8
[M+NH4]+ 281.07996 163.2
[M+K]+ 302.00930 164.2
[M-H]- 262.03886 159.0
[M+Na-2H]- 284.02081 164.5
[M]+ 263.04559 159.2
[M]- 263.04669 159.2
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.