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]+ 327.149176 179.2
[M+Na]+ 349.131118 186.6
[M-H]- 325.134624 186.3
[M+NH4]+ 344.175723 190.4
[M+K]+ 365.105058 179.3
[M+H-H2O]+ 309.139160 167.2
[M+HCOO]- 371.140101 198.9
[M+CH3COO]- 385.155751 189.1
[M+Na-2H]- 347.116566 186.8
[M]+ 326.14135142 179.6
[M]- 326.14244858 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