CID 63680

134563-06-7

Structural Information

Molecular Formula
C23H18N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H18N2O2/c26-20(15-25-16-24-22-9-5-4-8-21(22)23(25)27)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16H,14-15H2
InChIKey
GTSTXCFWWWOLKV-UHFFFAOYSA-N
Compound name
3-[2-oxo-3-(4-phenylphenyl)propyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13684 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14412 185.3
[M+Na]+ 377.12606 203.7
[M+NH4]+ 372.17066 193.3
[M+K]+ 393.10000 193.5
[M-H]- 353.12956 192.0
[M+Na-2H]- 375.11151 197.0
[M]+ 354.13629 190.1
[M]- 354.13739 190.1
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.