CID 135507166

326004-19-7

Structural Information

Molecular Formula
C13H12F2N4O3S
SMILES
CC1=NN=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C13H12F2N4O3S/c1-7-11(21)17-13(19-18-7)23-6-10(20)16-8-2-4-9(5-3-8)22-12(14)15/h2-5,12H,6H2,1H3,(H,16,20)(H,17,19,21)
InChIKey
GYOCFGSLRWXKMO-UHFFFAOYSA-N
Compound name
N-[4-(difluoromethoxy)phenyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06708 171.3
[M+Na]+ 365.04902 180.8
[M+NH4]+ 360.09362 174.6
[M+K]+ 381.02296 175.1
[M-H]- 341.05252 169.3
[M+Na-2H]- 363.03447 175.6
[M]+ 342.05925 172.0
[M]- 342.06035 172.0
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.