CID 16792359

937598-72-6

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C)C)C(=C2)C(=O)O
InChI
InChI=1S/C16H15N3O2/c1-9-4-6-11(7-5-9)13-8-12(16(20)21)14-10(2)18-19(3)15(14)17-13/h4-8H,1-3H3,(H,20,21)
InChIKey
RZTGEBONDAJNFI-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 165.2
[M+Na]+ 304.10564 181.0
[M+NH4]+ 299.15024 172.1
[M+K]+ 320.07958 176.2
[M-H]- 280.10914 167.6
[M+Na-2H]- 302.09109 172.2
[M]+ 281.11587 168.2
[M]- 281.11697 168.2
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.