CID 19616715

1006348-91-9

Structural Information

Molecular Formula
C16H19N5O2
SMILES
CCN1C(=C(C(=N1)C)C2=NC3=C(C(=NN3C)C)C(=C2)C(=O)O)C
InChI
InChI=1S/C16H19N5O2/c1-6-21-10(4)13(8(2)19-21)12-7-11(16(22)23)14-9(3)18-20(5)15(14)17-12/h7H,6H2,1-5H3,(H,22,23)
InChIKey
JSZDMZGBKBAFFI-UHFFFAOYSA-N
Compound name
6-(1-ethyl-3,5-dimethylpyrazol-4-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

313.15387 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16115 176.0
[M+Na]+ 336.14309 189.9
[M+NH4]+ 331.18769 180.9
[M+K]+ 352.11703 188.7
[M-H]- 312.14659 176.1
[M+Na-2H]- 334.12854 179.7
[M]+ 313.15332 177.9
[M]- 313.15442 177.9
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.