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 176.1
[M+Na]+ 354.09615 193.1
[M+NH4]+ 349.14075 182.1
[M+K]+ 370.07009 187.7
[M-H]- 330.09965 179.5
[M+Na-2H]- 352.08160 186.2
[M]+ 331.10638 179.5
[M]- 331.10748 179.5
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.