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

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 182.8
[M+Na]+ 365.12606 191.1
[M-H]- 341.12956 190.3
[M+NH4]+ 360.17066 193.4
[M+K]+ 381.10000 184.0
[M+H-H2O]+ 325.13410 170.6
[M+HCOO]- 387.13504 202.8
[M+CH3COO]- 401.15069 192.8
[M+Na-2H]- 363.11151 189.5
[M]+ 342.13629 184.2
[M]- 342.13739 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