CID 135410232

2-styrylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)/b11-10+
InChIKey
JDEJRLXMWUYMSS-ZHACJKMWSA-N
Compound name
2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

138
Patents

248.09496 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 155.9
[M+Na]+ 271.08418 165.1
[M-H]- 247.08768 159.5
[M+NH4]+ 266.12878 170.5
[M+K]+ 287.05812 157.9
[M+H-H2O]+ 231.09222 146.7
[M+HCOO]- 293.09316 175.7
[M+CH3COO]- 307.10881 167.3
[M+Na-2H]- 269.06963 164.2
[M]+ 248.09441 154.1
[M]- 248.09551 154.1
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.