CID 35750

31185-78-1

Structural Information

Molecular Formula
C11H10N4O2
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)N
InChI
InChI=1S/C11H10N4O2/c12-11-13-6-5-9(15-11)14-8-4-2-1-3-7(8)10(16)17/h1-6H,(H,16,17)(H3,12,13,14,15)
InChIKey
SOJJTFYDOCVXLS-UHFFFAOYSA-N
Compound name
2-[(2-aminopyrimidin-4-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 149.5
[M+Na]+ 253.06959 161.6
[M+NH4]+ 248.11419 155.8
[M+K]+ 269.04353 156.7
[M-H]- 229.07309 152.4
[M+Na-2H]- 251.05504 157.5
[M]+ 230.07982 151.7
[M]- 230.08092 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe