CID 16773547

3-methyl-1-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC1=CC=C(C=C1)N2C3=C(C=C(C=N3)C(=O)O)C(=N2)C
InChI
InChI=1S/C15H13N3O2/c1-9-3-5-12(6-4-9)18-14-13(10(2)17-18)7-11(8-16-14)15(19)20/h3-8H,1-2H3,(H,19,20)
InChIKey
MIXYJZUYWASOQE-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 160.4
[M+Na]+ 290.08999 172.0
[M-H]- 266.09349 164.4
[M+NH4]+ 285.13459 175.4
[M+K]+ 306.06393 166.7
[M+H-H2O]+ 250.09803 151.8
[M+HCOO]- 312.09897 180.5
[M+CH3COO]- 326.11462 172.8
[M+Na-2H]- 288.07544 164.7
[M]+ 267.10022 163.7
[M]- 267.10132 163.7
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.