CID 4914505

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

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)O
InChI
InChI=1S/C14H13N3O2S/c1-8(2)17-13-10(7-15-17)9(14(18)19)6-11(16-13)12-4-3-5-20-12/h3-8H,1-2H3,(H,18,19)
InChIKey
YFJWBRWVCCDXGH-UHFFFAOYSA-N
Compound name
1-propan-2-yl-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

287.07285 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 164.4
[M+Na]+ 310.06207 175.8
[M-H]- 286.06557 169.0
[M+NH4]+ 305.10667 181.2
[M+K]+ 326.03601 171.6
[M+H-H2O]+ 270.07011 157.8
[M+HCOO]- 332.07105 180.1
[M+CH3COO]- 346.08670 176.7
[M+Na-2H]- 308.04752 163.3
[M]+ 287.07230 170.0
[M]- 287.07340 170.0
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.