CID 16227500

956191-91-6

Structural Information

Molecular Formula

C₁₂H₁₂N₄O₃

SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC(=O)O)N

InChI

InChI=1S/C12H12N4O3/c13-11-9(12(19)14-7-10(17)18)6-15-16(11)8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,19)(H,17,18)

InChIKey

GLZSYDGSFZEZPQ-UHFFFAOYSA-N

Compound name

2-[(5-amino-1-phenylpyrazole-4-carbonyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.09094 Da
Monoisotopic Mass: 1.0
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]+	261.098216	156.3
[M+Na]+	283.080158	163.0
[M-H]-	259.083664	159.4
[M+NH4]+	278.124763	170.2
[M+K]+	299.054098	159.8
[M+H-H2O]+	243.088200	147.6
[M+HCOO]-	305.089141	178.5
[M+CH3COO]-	319.104791	196.4
[M+Na-2H]-	281.065606	158.9
[M]+	260.09039142	154.5
[M]-	260.09148858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.