CID 6435967

2-(2-oxo-4-phenylbut-3-enyl)-3-o-tolyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C25H20N2O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C25H20N2O2/c1-18-9-5-8-14-23(18)27-24(26-22-13-7-6-12-21(22)25(27)29)17-20(28)16-15-19-10-3-2-4-11-19/h2-16H,17H2,1H3/b16-15+
InChIKey
ZJQIPQVJVKWPME-FOCLMDBBSA-N
Compound name
3-(2-methylphenyl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.15247 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15975 193.4
[M+Na]+ 403.14169 211.8
[M+NH4]+ 398.18629 200.8
[M+K]+ 419.11563 201.2
[M-H]- 379.14519 199.8
[M+Na-2H]- 401.12714 204.2
[M]+ 380.15192 198.1
[M]- 380.15302 198.1
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

patents stripe