CID 135441944

53048-02-5

Structural Information

Molecular Formula
C12H12N4O2S
SMILES
CC1=NN=C(NC1=O)SCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H12N4O2S/c1-8-11(18)14-12(16-15-8)19-7-10(17)13-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,17)(H,14,16,18)
InChIKey
OZMRFVZSCDRRRK-UHFFFAOYSA-N
Compound name
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

276.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07536 159.8
[M+Na]+ 299.05730 172.6
[M+NH4]+ 294.10190 165.9
[M+K]+ 315.03124 164.9
[M-H]- 275.06080 161.8
[M+Na-2H]- 297.04275 167.0
[M]+ 276.06753 162.4
[M]- 276.06863 162.4
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.