CID 6861490

Nsc691102

Structural Information

Molecular Formula
C15H10N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N4O4/c20-14-12-3-1-2-4-13(12)17-15(21)18(14)16-9-10-5-7-11(8-6-10)19(22)23/h1-9H,(H,17,21)/b16-9+
InChIKey
YIDKYJZQQWFJEI-CXUHLZMHSA-N
Compound name
3-[(E)-(4-nitrophenyl)methylideneamino]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0702 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07748 165.4
[M+Na]+ 333.05942 174.0
[M-H]- 309.06292 171.2
[M+NH4]+ 328.10402 176.9
[M+K]+ 349.03336 164.6
[M+H-H2O]+ 293.06746 159.9
[M+HCOO]- 355.06840 189.1
[M+CH3COO]- 369.08405 200.2
[M+Na-2H]- 331.04487 175.7
[M]+ 310.06965 164.5
[M]- 310.07075 164.5
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.