CID 127007

Dtxsid40932831

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C11H15N5O4/c1-6(17)5-11-7(13-16(4)9(19)12-11)14(2)10(20)15(3)8(11)18/h5H2,1-4H3,(H,12,19)
InChIKey
HUZNODILVCXFIG-UHFFFAOYSA-N
Compound name
2,6,8-trimethyl-4a-(2-oxopropyl)-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

281.1124 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 165.1
[M+Na]+ 304.10162 175.6
[M-H]- 280.10512 162.1
[M+NH4]+ 299.14622 177.1
[M+K]+ 320.07556 172.1
[M+H-H2O]+ 264.10966 157.4
[M+HCOO]- 326.11060 175.2
[M+CH3COO]- 340.12625 201.3
[M+Na-2H]- 302.08707 166.9
[M]+ 281.11185 164.7
[M]- 281.11295 164.7
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.