CID 180255

124428-11-1

Structural Information

Molecular Formula
C22H18N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCOC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C22H18N2O/c1-2-6-18(7-3-1)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
XXRCKOLZQMKPAR-UHFFFAOYSA-N
Compound name
4-[2-(4-phenylphenyl)ethoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.1419 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14918 179.2
[M+Na]+ 349.13112 186.6
[M-H]- 325.13462 186.3
[M+NH4]+ 344.17572 190.4
[M+K]+ 365.10506 179.3
[M+H-H2O]+ 309.13916 167.2
[M+HCOO]- 371.14010 198.9
[M+CH3COO]- 385.15575 189.1
[M+Na-2H]- 347.11657 186.8
[M]+ 326.14135 179.6
[M]- 326.14245 179.6
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