CID 722876

3-amino-2-phenyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N
InChI
InChI=1S/C14H11N3O/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h1-9H,15H2
InChIKey
YKBACEIGOHYXAC-UHFFFAOYSA-N
Compound name
3-amino-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

11
Patents

237.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 151.9
[M+Na]+ 260.07943 162.2
[M-H]- 236.08293 157.1
[M+NH4]+ 255.12403 167.4
[M+K]+ 276.05337 156.5
[M+H-H2O]+ 220.08747 142.7
[M+HCOO]- 282.08841 174.1
[M+CH3COO]- 296.10406 164.4
[M+Na-2H]- 258.06488 160.5
[M]+ 237.08966 150.9
[M]- 237.09076 150.9
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