CID 785275

3-phenyl-3h-quinazolin-4-one

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H
InChIKey
WAIHFZPSLVDBRV-UHFFFAOYSA-N
Compound name
3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

101
Patents

222.07932 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08660 147.2
[M+Na]+ 245.06854 157.4
[M-H]- 221.07204 152.5
[M+NH4]+ 240.11314 163.6
[M+K]+ 261.04248 152.1
[M+H-H2O]+ 205.07658 138.0
[M+HCOO]- 267.07752 169.0
[M+CH3COO]- 281.09317 160.1
[M+Na-2H]- 243.05399 157.0
[M]+ 222.07877 147.3
[M]- 222.07987 147.3
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