CID 16785863

953888-58-9

Structural Information

Molecular Formula
C16H14N4O2
SMILES
C1CC1C2=NC3=C(C=NN3CC4=CN=CC=C4)C(=C2)C(=O)O
InChI
InChI=1S/C16H14N4O2/c21-16(22)12-6-14(11-3-4-11)19-15-13(12)8-18-20(15)9-10-2-1-5-17-7-10/h1-2,5-8,11H,3-4,9H2,(H,21,22)
InChIKey
CROFMVRILSMXIG-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 176.3
[M+Na]+ 317.10088 188.1
[M-H]- 293.10438 181.5
[M+NH4]+ 312.14548 183.5
[M+K]+ 333.07482 180.4
[M+H-H2O]+ 277.10892 166.5
[M+HCOO]- 339.10986 195.1
[M+CH3COO]- 353.12551 186.4
[M+Na-2H]- 315.08633 179.7
[M]+ 294.11111 180.3
[M]- 294.11221 180.3
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.