CID 777798

51658-13-0

Structural Information

Molecular Formula
C11H11N5O2
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NN
InChI
InChI=1S/C11H11N5O2/c12-16-11-13-6-5-9(15-11)14-8-4-2-1-3-7(8)10(17)18/h1-6H,12H2,(H,17,18)(H2,13,14,15,16)
InChIKey
IGHKWXJZZLUSRS-UHFFFAOYSA-N
Compound name
2-[(2-hydrazinylpyrimidin-4-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

245.09128 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09856 151.6
[M+Na]+ 268.08050 158.3
[M-H]- 244.08400 154.5
[M+NH4]+ 263.12510 164.1
[M+K]+ 284.05444 154.4
[M+H-H2O]+ 228.08854 142.4
[M+HCOO]- 290.08948 175.0
[M+CH3COO]- 304.10513 197.3
[M+Na-2H]- 266.06595 158.9
[M]+ 245.09073 148.1
[M]- 245.09183 148.1
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

No patent data available for this compound.