CID 135419024

74037-32-4

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂

SMILES

C1=CC=C(C=C1)N2C(=C3C(=N2)C=C(NC3=O)O)N

InChI

InChI=1S/C12H10N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-6,17H,13H2,(H,14,18)

InChIKey

QDQPFDKWYQPJRB-UHFFFAOYSA-N

Compound name

3-amino-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 15
Patents: 242.08037 Da
Monoisotopic Mass: 1.4
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]+	243.08765	151.6
[M+Na]+	265.06959	166.0
[M+NH4]+	260.11419	158.3
[M+K]+	281.04353	162.2
[M-H]-	241.07309	153.8
[M+Na-2H]-	263.05504	158.8
[M]+	242.07982	154.1
[M]-	242.08092	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe