CID 3333289

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

Structural Information

Molecular Formula
C18H16F2N4OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)F)F)C3=CC=CC=C3
InChI
InChI=1S/C18H16F2N4OS/c1-2-24-17(12-6-4-3-5-7-12)22-23-18(24)26-11-16(25)21-15-10-13(19)8-9-14(15)20/h3-10H,2,11H2,1H3,(H,21,25)
InChIKey
MUTHXEXUJAHODK-UHFFFAOYSA-N
Compound name
N-(2,5-difluorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1013 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10858 184.0
[M+Na]+ 397.09052 193.6
[M-H]- 373.09402 188.2
[M+NH4]+ 392.13512 194.4
[M+K]+ 413.06446 186.2
[M+H-H2O]+ 357.09856 172.4
[M+HCOO]- 419.09950 198.7
[M+CH3COO]- 433.11515 193.5
[M+Na-2H]- 395.07597 182.5
[M]+ 374.10075 185.6
[M]- 374.10185 185.6
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.