CID 135419165

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-n-(4-methylphenyl)acetamide

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2)C
InChI
InChI=1S/C13H14N4O2S/c1-8-3-5-10(6-4-8)14-11(18)7-20-13-15-12(19)9(2)16-17-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKey
GTYWEZMRNFHXGG-UHFFFAOYSA-N
Compound name
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.08374 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 164.8
[M+Na]+ 313.07296 173.8
[M-H]- 289.07646 166.8
[M+NH4]+ 308.11756 176.0
[M+K]+ 329.04690 167.6
[M+H-H2O]+ 273.08100 155.9
[M+HCOO]- 335.08194 179.7
[M+CH3COO]- 349.09759 199.6
[M+Na-2H]- 311.05841 167.4
[M]+ 290.08319 166.4
[M]- 290.08429 166.4
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.