CID 71749254

5-hydroxy-phip

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

CN1C2=C(NC(=O)C(=C2)C3=CC=CC=C3)N=C1N

InChI

InChI=1S/C13H12N4O/c1-17-10-7-9(8-5-3-2-4-6-8)12(18)15-11(10)16-13(17)14/h2-7H,1H3,(H3,14,15,16,18)

InChIKey

VFOYOLOUKGRSJB-UHFFFAOYSA-N

Compound name

2-amino-1-methyl-6-phenyl-4H-imidazo[4,5-b]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.1011 Da
Monoisotopic Mass: 1.1
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]+	241.108376	152.9
[M+Na]+	263.090318	165.1
[M-H]-	239.093824	156.5
[M+NH4]+	258.134923	168.7
[M+K]+	279.064258	158.6
[M+H-H2O]+	223.098360	144.4
[M+HCOO]-	285.099301	174.9
[M+CH3COO]-	299.114951	165.6
[M+Na-2H]-	261.075766	158.9
[M]+	240.10055142	153.1
[M]-	240.10164858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe