CID 478829

3-(3-nitrophenyl)-1h-quinazoline-2,4-dione

Structural Information

Molecular Formula
C14H9N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O4/c18-13-11-6-1-2-7-12(11)15-14(19)16(13)9-4-3-5-10(8-9)17(20)21/h1-8H,(H,15,19)
InChIKey
GKKQYMNCMDJPTN-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

283.0593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06658 158.6
[M+Na]+ 306.04852 167.8
[M-H]- 282.05202 163.2
[M+NH4]+ 301.09312 170.9
[M+K]+ 322.02246 158.4
[M+H-H2O]+ 266.05656 153.8
[M+HCOO]- 328.05750 180.0
[M+CH3COO]- 342.07315 191.3
[M+Na-2H]- 304.03397 168.2
[M]+ 283.05875 157.0
[M]- 283.05985 157.0
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