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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09822 156.3
[M+Na]+ 283.08016 163.0
[M-H]- 259.08366 159.4
[M+NH4]+ 278.12476 170.2
[M+K]+ 299.05410 159.8
[M+H-H2O]+ 243.08820 147.6
[M+HCOO]- 305.08914 178.5
[M+CH3COO]- 319.10479 196.4
[M+Na-2H]- 281.06561 158.9
[M]+ 260.09039 154.5
[M]- 260.09149 154.5
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.