CID 205911

Fervenulone

Structural Information

Molecular Formula
C7H7N5O3
SMILES
CN1C2=NNC(=O)N=C2C(=O)N(C1=O)C
InChI
InChI=1S/C7H7N5O3/c1-11-4-3(8-6(14)10-9-4)5(13)12(2)7(11)15/h1-2H3,(H,8,10,14)
InChIKey
LTCRXRJDVYDZJL-UHFFFAOYSA-N
Compound name
6,8-dimethyl-2H-pyrimido[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

209.05489 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.062166 144.5
[M+Na]+ 232.044108 159.2
[M-H]- 208.047614 142.8
[M+NH4]+ 227.088713 157.7
[M+K]+ 248.018048 154.3
[M+H-H2O]+ 192.052150 136.2
[M+HCOO]- 254.053091 162.1
[M+CH3COO]- 268.068741 184.9
[M+Na-2H]- 230.029556 152.3
[M]+ 209.05434142 147.2
[M]- 209.05543858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.