CID 16779352

937623-70-6

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]+ 314.113536 170.4
[M+Na]+ 336.095478 181.0
[M-H]- 312.098984 174.1
[M+NH4]+ 331.140083 183.2
[M+K]+ 352.069418 176.9
[M+H-H2O]+ 296.103520 161.1
[M+HCOO]- 358.104461 190.4
[M+CH3COO]- 372.120111 204.0
[M+Na-2H]- 334.080926 174.3
[M]+ 313.10571142 176.7
[M]- 313.10680858 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.