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 172.0
[M+Na]+ 344.07879 181.1
[M-H]- 320.08229 175.2
[M+NH4]+ 339.12339 182.2
[M+K]+ 360.05273 175.9
[M+H-H2O]+ 304.08683 162.5
[M+HCOO]- 366.08777 188.9
[M+CH3COO]- 380.10342 210.1
[M+Na-2H]- 342.06424 174.2
[M]+ 321.08902 175.5
[M]- 321.09012 175.5
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.