CID 135419024

3-amino-2-phenyl-2h-pyrazolo[4,3-c]pyridine-4,6-diol

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

8
Patents

242.08037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.087646 151.4
[M+Na]+ 265.069588 163.4
[M-H]- 241.073094 153.9
[M+NH4]+ 260.114193 166.3
[M+K]+ 281.043528 157.0
[M+H-H2O]+ 225.077630 143.2
[M+HCOO]- 287.078571 172.5
[M+CH3COO]- 301.094221 163.7
[M+Na-2H]- 263.055036 157.6
[M]+ 242.07982142 150.9
[M]- 242.08091858 150.9
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

patents stripe