CID 1892646

618879-95-1

Structural Information

Molecular Formula
C17H14F2N4O2S
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CO3
InChI
InChI=1S/C17H14F2N4O2S/c1-2-7-23-16(14-4-3-8-25-14)21-22-17(23)26-10-15(24)20-11-5-6-12(18)13(19)9-11/h2-6,8-9H,1,7,10H2,(H,20,24)
InChIKey
AVXCBSFNDMUVKF-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08057 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08785 186.0
[M+Na]+ 399.06979 196.9
[M+NH4]+ 394.11439 190.3
[M+K]+ 415.04373 192.6
[M-H]- 375.07329 187.7
[M+Na-2H]- 397.05524 190.9
[M]+ 376.08002 188.1
[M]- 376.08112 188.1
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.