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]+ 357.159746 187.2
[M+Na]+ 379.141688 195.1
[M-H]- 355.145194 194.6
[M+NH4]+ 374.186293 197.3
[M+K]+ 395.115628 187.8
[M+H-H2O]+ 339.149730 174.9
[M+HCOO]- 401.150671 206.9
[M+CH3COO]- 415.166321 196.8
[M+Na-2H]- 377.127136 193.5
[M]+ 356.15192142 189.0
[M]- 356.15301858 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.