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 163.7
[M+Na]+ 310.06207 176.3
[M+NH4]+ 305.10667 170.9
[M+K]+ 326.03601 172.7
[M-H]- 286.06557 165.2
[M+Na-2H]- 308.04752 168.9
[M]+ 287.07230 166.3
[M]- 287.07340 166.3
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.

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No patent data available for this compound.