CID 3549863

16313-85-2

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O3/c18-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)17(19)20/h1-8,13,15H,(H,16,18)
InChIKey
WWONPPJDLHHUIW-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.08005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 156.9
[M+Na]+ 292.06927 162.9
[M-H]- 268.07277 159.0
[M+NH4]+ 287.11387 168.8
[M+K]+ 308.04321 152.9
[M+H-H2O]+ 252.07731 152.6
[M+HCOO]- 314.07825 173.8
[M+CH3COO]- 328.09390 186.8
[M+Na-2H]- 290.05472 164.9
[M]+ 269.07950 149.8
[M]- 269.08060 149.8
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.