CID 1892757

618880-32-3

Structural Information

Molecular Formula
C20H15F6N5OS
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=N3
InChI
InChI=1S/C20H15F6N5OS/c1-2-7-31-17(15-5-3-4-6-27-15)29-30-18(31)33-11-16(32)28-14-9-12(19(21,22)23)8-13(10-14)20(24,25)26/h2-6,8-10H,1,7,11H2,(H,28,32)
InChIKey
ADEXFWITICHLPN-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.09015 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.09743 198.1
[M+Na]+ 510.07937 202.5
[M+NH4]+ 505.12397 197.9
[M+K]+ 526.05331 198.9
[M-H]- 486.08287 192.5
[M+Na-2H]- 508.06482 199.5
[M]+ 487.08960 196.9
[M]- 487.09070 196.9
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.