CID 2535053

6-phenyl-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H15N3O2/c1-10(2)19-15-13(9-17-19)12(16(20)21)8-14(18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKey
FVWHXCPGGVRTCS-UHFFFAOYSA-N
Compound name
6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

281.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.5
[M+Na]+ 304.10564 174.4
[M-H]- 280.10914 168.0
[M+NH4]+ 299.15024 178.6
[M+K]+ 320.07958 169.4
[M+H-H2O]+ 264.11368 155.6
[M+HCOO]- 326.11462 183.3
[M+CH3COO]- 340.13027 176.0
[M+Na-2H]- 302.09109 167.9
[M]+ 281.11587 167.1
[M]- 281.11697 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe