CID 853704

2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2S/c1-21-12-18-20-17(21)24-11-16(22)19-13-7-9-15(10-8-13)23-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,22)
InChIKey
AFEUPTZFVKOXMS-UHFFFAOYSA-N
Compound name
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

340.0994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 177.1
[M+Na]+ 363.08862 190.4
[M+NH4]+ 358.13322 183.8
[M+K]+ 379.06256 183.2
[M-H]- 339.09212 181.6
[M+Na-2H]- 361.07407 186.2
[M]+ 340.09885 180.6
[M]- 340.09995 180.6
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.