CID 16792498

954251-87-7

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O
InChI
InChI=1S/C14H12N4O2/c1-2-18-13-11(8-16-18)10(14(19)20)7-12(17-13)9-3-5-15-6-4-9/h3-8H,2H2,1H3,(H,19,20)
InChIKey
UNXCOFLXZAZKNR-UHFFFAOYSA-N
Compound name
1-ethyl-6-pyridin-4-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09604 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 160.4
[M+Na]+ 291.08526 171.5
[M-H]- 267.08876 162.7
[M+NH4]+ 286.12986 173.6
[M+K]+ 307.05920 166.1
[M+H-H2O]+ 251.09330 150.8
[M+HCOO]- 313.09424 179.4
[M+CH3COO]- 327.10989 172.0
[M+Na-2H]- 289.07071 165.8
[M]+ 268.09549 163.3
[M]- 268.09659 163.3
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.

Patent stripe

No patent data available for this compound.