CID 3007397

108664-31-9

Structural Information

Molecular Formula
C23H16N2O2
SMILES
C=C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H16N2O2/c1-16(25-15-24-21-10-6-5-9-20(21)23(25)27)22(26)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-15H,1H2
InChIKey
XMGUPWMIYBAPSK-UHFFFAOYSA-N
Compound name
3-[3-oxo-3-(4-phenylphenyl)prop-1-en-2-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12848 184.5
[M+Na]+ 375.11042 192.2
[M-H]- 351.11392 192.1
[M+NH4]+ 370.15502 194.4
[M+K]+ 391.08436 184.9
[M+H-H2O]+ 335.11846 172.8
[M+HCOO]- 397.11940 202.5
[M+CH3COO]- 411.13505 194.1
[M+Na-2H]- 373.09587 188.7
[M]+ 352.12065 183.8
[M]- 352.12175 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.