CID 646523

6-phenacylsulfanyl-2h-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
C1=CC=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O
InChI
InChI=1S/C11H9N3O3S/c15-8(7-4-2-1-3-5-7)6-18-10-9(16)12-11(17)14-13-10/h1-5H,6H2,(H2,12,14,16,17)
InChIKey
OWMOXLXHCHCCRB-UHFFFAOYSA-N
Compound name
6-phenacylsulfanyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

263.03647 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04375 155.5
[M+Na]+ 286.02569 168.7
[M+NH4]+ 281.07029 161.0
[M+K]+ 301.99963 161.5
[M-H]- 262.02919 156.0
[M+Na-2H]- 284.01114 162.0
[M]+ 263.03592 157.7
[M]- 263.03702 157.7
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

No patent data available for this compound.