CID 3087153

Brn 5602003

Structural Information

Molecular Formula
C9H13N5O4
SMILES
CCOC12C(=NNC(=O)N1)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C9H13N5O4/c1-4-18-9-5(11-12-7(16)10-9)13(2)8(17)14(3)6(9)15/h4H2,1-3H3,(H2,10,12,16)
InChIKey
XZIGFXBWLGVKAK-UHFFFAOYSA-N
Compound name
4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10404 160.1
[M+Na]+ 278.08598 170.2
[M-H]- 254.08948 155.6
[M+NH4]+ 273.13058 172.3
[M+K]+ 294.05992 166.3
[M+H-H2O]+ 238.09402 152.3
[M+HCOO]- 300.09496 170.2
[M+CH3COO]- 314.11061 191.6
[M+Na-2H]- 276.07143 164.0
[M]+ 255.09621 158.0
[M]- 255.09731 158.0
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.