CID 31508

Proquazone

Structural Information

Molecular Formula

C₁₈H₁₈N₂O

SMILES

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

InChI

InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3

InChIKey

JTIGKVIOEQASGT-UHFFFAOYSA-N

Compound name

7-methyl-4-phenyl-1-propan-2-ylquinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 51
References: 13317
Patents: 278.1419 Da
Monoisotopic Mass: 3.0
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]+	279.14918	165.8
[M+Na]+	301.13112	175.8
[M-H]-	277.13462	171.3
[M+NH4]+	296.17572	180.5
[M+K]+	317.10506	170.1
[M+H-H2O]+	261.13916	156.4
[M+HCOO]-	323.14010	185.2
[M+CH3COO]-	337.15575	177.6
[M+Na-2H]-	299.11657	170.8
[M]+	278.14135	167.6
[M]-	278.14245	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe