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]+ 279.10878 158.8
[M+Na]+ 301.09072 169.5
[M-H]- 277.09422 161.8
[M+NH4]+ 296.13532 172.8
[M+K]+ 317.06466 161.6
[M+H-H2O]+ 261.09876 155.6
[M+HCOO]- 323.09970 181.6
[M+CH3COO]- 337.11535 198.5
[M+Na-2H]- 299.07617 165.8
[M]+ 278.10095 160.2
[M]- 278.10205 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.