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]+ 210.06217 144.5
[M+Na]+ 232.04411 159.2
[M-H]- 208.04761 142.8
[M+NH4]+ 227.08871 157.7
[M+K]+ 248.01805 154.3
[M+H-H2O]+ 192.05215 136.2
[M+HCOO]- 254.05309 162.1
[M+CH3COO]- 268.06874 184.9
[M+Na-2H]- 230.02956 152.3
[M]+ 209.05434 147.2
[M]- 209.05544 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.