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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.077476	153.9
[M+Na]+	285.059418	161.6
[M-H]-	261.062924	155.0
[M+NH4]+	280.104023	164.9
[M+K]+	301.033358	156.5
[M+H-H2O]+	245.067460	145.4
[M+HCOO]-	307.068401	174.5
[M+CH3COO]-	321.084051	192.6
[M+Na-2H]-	283.044866	160.0
[M]+	262.06965142	150.2
[M]-	262.07074858	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.