CID 64060

4(3h)-quinazolinone, 2-methoxymethyl-3-(o-tolyl)-

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)COC
InChI
InChI=1S/C17H16N2O2/c1-12-7-3-6-10-15(12)19-16(11-21-2)18-14-9-5-4-8-13(14)17(19)20/h3-10H,11H2,1-2H3
InChIKey
QDRBPXRQVCYGCU-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 165.0
[M+Na]+ 303.110418 175.5
[M-H]- 279.113924 170.5
[M+NH4]+ 298.155023 179.5
[M+K]+ 319.084358 170.2
[M+H-H2O]+ 263.118460 155.2
[M+HCOO]- 325.119401 185.8
[M+CH3COO]- 339.135051 177.1
[M+Na-2H]- 301.095866 171.5
[M]+ 280.12065142 168.3
[M]- 280.12174858 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.