CID 16227659

929974-39-0

Structural Information

Molecular Formula
C18H13N5O2
SMILES
C1=CC(=CN=C1)CN2C3=C(C=N2)C(=CC(=N3)C4=CN=CC=C4)C(=O)O
InChI
InChI=1S/C18H13N5O2/c24-18(25)14-7-16(13-4-2-6-20-9-13)22-17-15(14)10-21-23(17)11-12-3-1-5-19-8-12/h1-10H,11H2,(H,24,25)
InChIKey
RNXOXFBHXURJHO-UHFFFAOYSA-N
Compound name
6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.10693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11421 177.0
[M+Na]+ 354.09615 187.3
[M-H]- 330.09965 180.9
[M+NH4]+ 349.14075 185.3
[M+K]+ 370.07009 179.9
[M+H-H2O]+ 314.10419 165.1
[M+HCOO]- 376.10513 194.1
[M+CH3COO]- 390.12078 186.7
[M+Na-2H]- 352.08160 182.5
[M]+ 331.10638 178.8
[M]- 331.10748 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.