CID 63332

138841-16-4

Structural Information

Molecular Formula
C23H20N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H20N2O2/c26-23-21-9-4-5-10-22(21)24-17-25(23)15-6-16-27-20-13-11-19(12-14-20)18-7-2-1-3-8-18/h1-5,7-14,17H,6,15-16H2
InChIKey
YBIGDCBBYKJLGF-UHFFFAOYSA-N
Compound name
3-[3-(4-phenylphenoxy)propyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15975 187.2
[M+Na]+ 379.14169 195.1
[M-H]- 355.14519 194.6
[M+NH4]+ 374.18629 197.3
[M+K]+ 395.11563 187.8
[M+H-H2O]+ 339.14973 174.9
[M+HCOO]- 401.15067 206.9
[M+CH3COO]- 415.16632 196.8
[M+Na-2H]- 377.12714 193.5
[M]+ 356.15192 189.0
[M]- 356.15302 189.0
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

No patent data available for this compound.