CID 64046

138841-13-1

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H18N2O2/c25-22-19-11-4-6-12-20(19)23-16-24(22)14-15-26-21-13-7-5-10-18(21)17-8-2-1-3-9-17/h1-13,16H,14-15H2
InChIKey
FARJEKNNKAZZES-UHFFFAOYSA-N
Compound name
3-[2-(2-phenylphenoxy)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 182.6
[M+Na]+ 365.12606 201.6
[M+NH4]+ 360.17066 191.3
[M+K]+ 381.10000 190.8
[M-H]- 341.12956 189.8
[M+Na-2H]- 363.11151 195.0
[M]+ 342.13629 187.7
[M]- 342.13739 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe