CID 63250

61554-65-2

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCOCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C
InChI
InChI=1S/C18H18N2O2/c1-3-22-12-17-19-15-10-6-5-9-14(15)18(21)20(17)16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3
InChIKey
MQBMVHJXZKUDQZ-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.2
[M+Na]+ 317.12606 186.5
[M+NH4]+ 312.17066 177.4
[M+K]+ 333.10000 177.4
[M-H]- 293.12956 173.8
[M+Na-2H]- 315.11151 178.5
[M]+ 294.13629 173.2
[M]- 294.13739 173.2
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.