CID 1264899

573931-40-5

Structural Information

Molecular Formula
C16H14F2N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=CO3
InChI
InChI=1S/C16H14F2N4O2S/c1-2-22-15(13-4-3-7-24-13)20-21-16(22)25-9-14(23)19-12-6-5-10(17)8-11(12)18/h3-8H,2,9H2,1H3,(H,19,23)
InChIKey
BEDINWMCJHJZCH-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08057 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08785 179.3
[M+Na]+ 387.06979 190.8
[M-H]- 363.07329 185.5
[M+NH4]+ 382.11439 191.0
[M+K]+ 403.04373 186.0
[M+H-H2O]+ 347.07783 169.3
[M+HCOO]- 409.07877 196.5
[M+CH3COO]- 423.09442 190.6
[M+Na-2H]- 385.05524 177.4
[M]+ 364.08002 184.7
[M]- 364.08112 184.7
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.