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 194.8
[M+Na]+ 403.14169 202.9
[M-H]- 379.14519 202.3
[M+NH4]+ 398.18629 203.9
[M+K]+ 419.11563 194.7
[M+H-H2O]+ 363.14973 182.5
[M+HCOO]- 425.15067 213.1
[M+CH3COO]- 439.16632 203.9
[M+Na-2H]- 401.12714 198.1
[M]+ 380.15192 195.6
[M]- 380.15302 195.6
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

patents stripe