CID 64007

138841-12-0

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H18N2O2/c25-22-20-8-4-5-9-21(20)23-16-24(22)14-15-26-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,16H,14-15H2
InChIKey
XZZKSZKORULQSR-UHFFFAOYSA-N
Compound name
3-[2-(4-phenylphenoxy)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 182.8
[M+Na]+ 365.126058 191.1
[M-H]- 341.129564 190.3
[M+NH4]+ 360.170663 193.4
[M+K]+ 381.099998 184.0
[M+H-H2O]+ 325.134100 170.6
[M+HCOO]- 387.135041 202.8
[M+CH3COO]- 401.150691 192.8
[M+Na-2H]- 363.111506 189.5
[M]+ 342.13629142 184.2
[M]- 342.13738858 184.2
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