CID 1499299

Salor-int l443298-1ea

Structural Information

Molecular Formula
C12H12F3N5OS
SMILES
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C(F)(F)F
InChI
InChI=1S/C12H12F3N5OS/c1-7-3-2-4-8(5-7)17-9(21)6-22-11-19-18-10(20(11)16)12(13,14)15/h2-5H,6,16H2,1H3,(H,17,21)
InChIKey
NKXJISACNWPKHG-UHFFFAOYSA-N
Compound name
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07875 168.3
[M+Na]+ 354.06069 174.7
[M+NH4]+ 349.10529 171.4
[M+K]+ 370.03463 171.5
[M-H]- 330.06419 165.2
[M+Na-2H]- 352.04614 171.3
[M]+ 331.07092 168.1
[M]- 331.07202 168.1
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.