CID 3681702

3-methyl-1-phenyl-6-(thiophen-2-yl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C18H13N3O2S
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O2S/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
InChIKey
PDFQFLIMQNETAI-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07285 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08013 175.6
[M+Na]+ 358.06207 191.1
[M+NH4]+ 353.10667 183.5
[M+K]+ 374.03601 185.5
[M-H]- 334.06557 180.1
[M+Na-2H]- 356.04752 184.0
[M]+ 335.07230 179.6
[M]- 335.07340 179.6
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.