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]+ 256.104036 160.1
[M+Na]+ 278.085978 170.2
[M-H]- 254.089484 155.6
[M+NH4]+ 273.130583 172.3
[M+K]+ 294.059918 166.3
[M+H-H2O]+ 238.094020 152.3
[M+HCOO]- 300.094961 170.2
[M+CH3COO]- 314.110611 191.6
[M+Na-2H]- 276.071426 164.0
[M]+ 255.09621142 158.0
[M]- 255.09730858 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.