CID 4160492

3-(4-nitrophenyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C14H9N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O3/c18-14-12-3-1-2-4-13(12)15-9-16(14)10-5-7-11(8-6-10)17(19)20/h1-9H
InChIKey
RMHYEHAOFXFUIY-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0644 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07168 154.8
[M+Na]+ 290.05362 172.4
[M+NH4]+ 285.09822 163.0
[M+K]+ 306.02756 167.1
[M-H]- 266.05712 160.3
[M+Na-2H]- 288.03907 164.7
[M]+ 267.06385 158.9
[M]- 267.06495 158.9
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.