CID 1829910

573934-93-7

Structural Information

Molecular Formula
C19H14F6N4O2S
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CO3
InChI
InChI=1S/C19H14F6N4O2S/c1-2-5-29-16(14-4-3-6-31-14)27-28-17(29)32-10-15(30)26-13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h2-4,6-9H,1,5,10H2,(H,26,30)
InChIKey
ZKNQGLXTPOXJLW-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-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

476.07416 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08144 202.9
[M+Na]+ 499.06338 207.0
[M+NH4]+ 494.10798 202.8
[M+K]+ 515.03732 204.7
[M-H]- 475.06688 197.9
[M+Na-2H]- 497.04883 203.0
[M]+ 476.07361 201.9
[M]- 476.07471 201.9
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.