CID 211238

2-methylfervenulone

Structural Information

Molecular Formula
C8H9N5O3
SMILES
CN1C2=NN(C(=O)N=C2C(=O)N(C1=O)C)C
InChI
InChI=1S/C8H9N5O3/c1-11-5-4(6(14)12(2)8(11)16)9-7(15)13(3)10-5/h1-3H3
InChIKey
NLCDJWLDGSBUOQ-UHFFFAOYSA-N
Compound name
2,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

223.07054 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07782 148.1
[M+Na]+ 246.05976 163.9
[M+NH4]+ 241.10436 152.9
[M+K]+ 262.03370 159.1
[M-H]- 222.06326 146.6
[M+Na-2H]- 244.04521 152.7
[M]+ 223.06999 149.7
[M]- 223.07109 149.7
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

patents stripe