CID 5010275

618415-13-7

Structural Information

Molecular Formula
C17H15ClFN5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=N3
InChI
InChI=1S/C17H15ClFN5OS/c1-2-24-16(14-5-3-4-8-20-14)22-23-17(24)26-10-15(25)21-11-6-7-13(19)12(18)9-11/h3-9H,2,10H2,1H3,(H,21,25)
InChIKey
BUARZXFNSVJRBU-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-[(4-ethyl-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

391.067 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07428 186.8
[M+Na]+ 414.05622 200.6
[M+NH4]+ 409.10082 192.6
[M+K]+ 430.03016 192.9
[M-H]- 390.05972 189.5
[M+Na-2H]- 412.04167 194.5
[M]+ 391.06645 190.1
[M]- 391.06755 190.1
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.