CID 63257

3-hydroxyproquazone

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C18H18N2O2/c1-11(2)20-16-9-12(3)7-8-15(16)17(19-18(20)22)13-5-4-6-14(21)10-13/h4-11,21H,1-3H3

InChIKey

HGZHAINHFBFXIU-UHFFFAOYSA-N

Compound name

4-(3-hydroxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 294.13684 Da
Monoisotopic Mass: 3.7
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]+	295.144116	169.7
[M+Na]+	317.126058	179.9
[M-H]-	293.129564	174.2
[M+NH4]+	312.170663	183.2
[M+K]+	333.099998	174.2
[M+H-H2O]+	277.134100	160.6
[M+HCOO]-	339.135041	187.7
[M+CH3COO]-	353.150691	180.9
[M+Na-2H]-	315.111506	173.5
[M]+	294.13629142	171.5
[M]-	294.13738858	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe