CID 4160492

95202-41-8

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 156.0
[M+Na]+ 290.05362 164.8
[M-H]- 266.05712 161.6
[M+NH4]+ 285.09822 169.5
[M+K]+ 306.02756 156.1
[M+H-H2O]+ 250.06166 150.9
[M+HCOO]- 312.06260 178.6
[M+CH3COO]- 326.07825 191.4
[M+Na-2H]- 288.03907 166.6
[M]+ 267.06385 155.2
[M]- 267.06495 155.2
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.