CID 5351216

Reumycin

Structural Information

Molecular Formula
C6H5N5O2
SMILES
CN1C(=O)C2=C(NC1=O)N=NC=N2
InChI
InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
InChIKey
ZLLAXLPOOMLVRF-UHFFFAOYSA-N
Compound name
6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

63
Patents

179.04433 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05161 135.5
[M+Na]+ 202.03355 150.4
[M+NH4]+ 197.07815 141.1
[M+K]+ 218.00749 145.4
[M-H]- 178.03705 133.9
[M+Na-2H]- 200.01900 141.4
[M]+ 179.04378 136.9
[M]- 179.04488 136.9
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