CID 63116

Lonetil m3

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C17H16N2O2/c1-3-21-14-10-8-13(9-11-14)19-12(2)18-16-7-5-4-6-15(16)17(19)20/h4-11H,3H2,1-2H3
InChIKey
JKWBQCHTVBSJDC-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

182
Patents

280.1212 Da
Monoisotopic Mass

2.5
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

patents stripe