CID 3834449

2-[(5-benzyl-4-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]-n-(3,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C23H18F2N4OS
SMILES
C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H18F2N4OS/c24-19-12-11-17(14-20(19)25)26-22(30)15-31-23-28-27-21(13-16-7-3-1-4-8-16)29(23)18-9-5-2-6-10-18/h1-12,14H,13,15H2,(H,26,30)
InChIKey
OZXGQWJLYOYZLQ-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.11694 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12422 199.6
[M+Na]+ 459.10616 213.1
[M+NH4]+ 454.15076 205.2
[M+K]+ 475.08010 204.5
[M-H]- 435.10966 203.9
[M+Na-2H]- 457.09161 209.1
[M]+ 436.11639 203.1
[M]- 436.11749 203.1
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.