CID 3414890

2-{[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}-n-phenylacetamide

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H18N4O2S/c1-13-20-21-18(22(13)15-8-10-16(24-2)11-9-15)25-12-17(23)19-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,23)
InChIKey
WNQXLYHVEZDNEW-UHFFFAOYSA-N
Compound name
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11505 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 182.1
[M+Na]+ 377.10427 195.6
[M+NH4]+ 372.14887 188.7
[M+K]+ 393.07821 188.3
[M-H]- 353.10777 186.7
[M+Na-2H]- 375.08972 190.7
[M]+ 354.11450 185.7
[M]- 354.11560 185.7
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.