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 186.1
[M+Na]+ 377.12606 193.9
[M-H]- 353.12956 193.6
[M+NH4]+ 372.17066 196.0
[M+K]+ 393.10000 186.6
[M+H-H2O]+ 337.13410 174.0
[M+HCOO]- 399.13504 204.9
[M+CH3COO]- 413.15069 195.7
[M+Na-2H]- 375.11151 191.3
[M]+ 354.13629 186.6
[M]- 354.13739 186.6
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

No patent data available for this compound.