CID 2535053

851175-95-6

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.12370	164.1
[M+Na]+	304.10564	178.7
[M+NH4]+	299.15024	170.9
[M+K]+	320.07958	174.5
[M-H]-	280.10914	166.1
[M+Na-2H]-	302.09109	171.3
[M]+	281.11587	166.7
[M]-	281.11697	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe