CID 64059

27945-44-4

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=CC(=CC(=C1O)C)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14N2O2/c1-10-7-12(8-11(2)15(10)19)18-9-17-14-6-4-3-5-13(14)16(18)20/h3-9,19H,1-2H3

InChIKey

ZDXVJPIFWFEXNR-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 2.6
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]+	267.112806	160.9
[M+Na]+	289.094748	172.4
[M-H]-	265.098254	165.7
[M+NH4]+	284.139353	175.7
[M+K]+	305.068688	166.6
[M+H-H2O]+	249.102790	152.1
[M+HCOO]-	311.103731	180.6
[M+CH3COO]-	325.119381	173.2
[M+Na-2H]-	287.080196	166.9
[M]+	266.10498142	162.7
[M]-	266.10607858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.