CID 25247667

1170064-23-9

Structural Information

Molecular Formula
C14H15N5O2
SMILES
CCN1C(=CC=N1)C2=NC3=C(C(=NN3C)C)C(=C2)C(=O)O
InChI
InChI=1S/C14H15N5O2/c1-4-19-11(5-6-15-19)10-7-9(14(20)21)12-8(2)17-18(3)13(12)16-10/h5-7H,4H2,1-3H3,(H,20,21)
InChIKey
KSZJUXCJDIKXIB-UHFFFAOYSA-N
Compound name
6-(2-ethylpyrazol-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1226 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 166.5
[M+Na]+ 308.11182 179.1
[M-H]- 284.11532 168.7
[M+NH4]+ 303.15642 180.2
[M+K]+ 324.08576 174.2
[M+H-H2O]+ 268.11986 157.7
[M+HCOO]- 330.12080 185.0
[M+CH3COO]- 344.13645 178.3
[M+Na-2H]- 306.09727 167.3
[M]+ 285.12205 171.7
[M]- 285.12315 171.7
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.