CID 16779352

1-[(2,4-dimethoxyphenyl)methyl]-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C16H15N3O4
SMILES
COC1=CC(=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)O)OC
InChI
InChI=1S/C16H15N3O4/c1-22-13-4-3-10(14(6-13)23-2)9-19-15-11(8-18-19)5-12(7-17-15)16(20)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKey
CBCVYCCUGFAPAF-UHFFFAOYSA-N
Compound name
1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 170.4
[M+Na]+ 336.09548 181.0
[M-H]- 312.09898 174.1
[M+NH4]+ 331.14008 183.2
[M+K]+ 352.06942 176.9
[M+H-H2O]+ 296.10352 161.1
[M+HCOO]- 358.10446 190.4
[M+CH3COO]- 372.12011 204.0
[M+Na-2H]- 334.08093 174.3
[M]+ 313.10571 176.7
[M]- 313.10681 176.7
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.