CID 68765

Nitraquazone

Structural Information

Molecular Formula
C16H13N3O4
SMILES
CCN1C(=O)C2=CC=CC=C2N(C1=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N3O4/c1-2-17-15(20)13-8-3-4-9-14(13)18(16(17)21)11-6-5-7-12(10-11)19(22)23/h3-10H,2H2,1H3
InChIKey
GNWCRBFQZDJFTI-UHFFFAOYSA-N
Compound name
3-ethyl-1-(3-nitrophenyl)quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1021
Patents

311.0906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 168.7
[M+Na]+ 334.07982 178.3
[M-H]- 310.08332 174.7
[M+NH4]+ 329.12442 180.8
[M+K]+ 350.05376 169.3
[M+H-H2O]+ 294.08786 163.3
[M+HCOO]- 356.08880 190.8
[M+CH3COO]- 370.10445 201.1
[M+Na-2H]- 332.06527 176.9
[M]+ 311.09005 169.9
[M]- 311.09115 169.9
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.