CID 1993185

586990-99-0

Structural Information

Molecular Formula
C18H16FN5OS
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=N3
InChI
InChI=1S/C18H16FN5OS/c1-2-10-24-17(15-8-3-4-9-20-15)22-23-18(24)26-12-16(25)21-14-7-5-6-13(19)11-14/h2-9,11H,1,10,12H2,(H,21,25)
InChIKey
QSRODIZXOCSFSH-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-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

369.10596 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11324 184.0
[M+Na]+ 392.09518 196.6
[M+NH4]+ 387.13978 189.2
[M+K]+ 408.06912 189.3
[M-H]- 368.09868 186.3
[M+Na-2H]- 390.08063 191.6
[M]+ 369.10541 186.6
[M]- 369.10651 186.6
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.