CID 164162

4-(2-(4-phenoxyphenyl)ethoxy)quinazoline

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CCOC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C22H18N2O2/c1-2-6-18(7-3-1)26-19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)23-16-24-22/h1-13,16H,14-15H2
InChIKey
ZPIQDTZKABPFQL-UHFFFAOYSA-N
Compound name
4-[2-(4-phenoxyphenyl)ethoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.13684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 182.4
[M+Na]+ 365.12606 189.5
[M-H]- 341.12956 189.5
[M+NH4]+ 360.17066 192.7
[M+K]+ 381.10000 183.0
[M+H-H2O]+ 325.13410 170.0
[M+HCOO]- 387.13504 202.2
[M+CH3COO]- 401.15069 192.1
[M+Na-2H]- 363.11151 190.0
[M]+ 342.13629 184.0
[M]- 342.13739 184.0
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