CID 4059333

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

Structural Information

Molecular Formula
C13H15N5O3S
SMILES
CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C13H15N5O3S/c1-8-12(20)18(14)13(17-16-8)22-7-11(19)15-9-5-3-4-6-10(9)21-2/h3-6H,7,14H2,1-2H3,(H,15,19)
InChIKey
ZXEJLOGAYYZJEJ-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.08957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09685 171.8
[M+Na]+ 344.07879 183.5
[M+NH4]+ 339.12339 176.7
[M+K]+ 360.05273 176.9
[M-H]- 320.08229 173.9
[M+Na-2H]- 342.06424 177.7
[M]+ 321.08902 174.2
[M]- 321.09012 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.