CID 4280149

107710-65-6

Structural Information

Molecular Formula
C12H14N4O4
SMILES
CCN1C2=CC(=C(C=C2C(=O)N(C1=O)CC)[N+](=O)[O-])N
InChI
InChI=1S/C12H14N4O4/c1-3-14-9-6-8(13)10(16(19)20)5-7(9)11(17)15(4-2)12(14)18/h5-6H,3-4,13H2,1-2H3
InChIKey
SKPASEQAFVRWDL-UHFFFAOYSA-N
Compound name
7-amino-1,3-diethyl-6-nitroquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.108776 158.8
[M+Na]+ 301.090718 169.5
[M-H]- 277.094224 161.8
[M+NH4]+ 296.135323 172.8
[M+K]+ 317.064658 161.6
[M+H-H2O]+ 261.098760 155.6
[M+HCOO]- 323.099701 181.6
[M+CH3COO]- 337.115351 198.5
[M+Na-2H]- 299.076166 165.8
[M]+ 278.10095142 160.2
[M]- 278.10204858 160.2
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.