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

literature stripe

Patent stripe

patents stripe