CID 385884

Nsc677284

Structural Information

Molecular Formula
C11H10N4O4
SMILES
C1=CC(=CC=C1C(=O)O)NNC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C11H10N4O4/c16-9-5-8(12-11(19)13-9)15-14-7-3-1-6(2-4-7)10(17)18/h1-5,14H,(H,17,18)(H3,12,13,15,16,19)
InChIKey
URVKFZCSTBIKKA-UHFFFAOYSA-N
Compound name
4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.0702 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07748 153.9
[M+Na]+ 285.05942 161.6
[M-H]- 261.06292 155.0
[M+NH4]+ 280.10402 164.9
[M+K]+ 301.03336 156.5
[M+H-H2O]+ 245.06746 145.4
[M+HCOO]- 307.06840 174.5
[M+CH3COO]- 321.08405 192.6
[M+Na-2H]- 283.04487 160.0
[M]+ 262.06965 150.2
[M]- 262.07075 150.2
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.