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]+ 268.071676 156.0
[M+Na]+ 290.053618 164.8
[M-H]- 266.057124 161.6
[M+NH4]+ 285.098223 169.5
[M+K]+ 306.027558 156.1
[M+H-H2O]+ 250.061660 150.9
[M+HCOO]- 312.062601 178.6
[M+CH3COO]- 326.078251 191.4
[M+Na-2H]- 288.039066 166.6
[M]+ 267.06385142 155.2
[M]- 267.06494858 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.