CID 3149093

557069-38-2

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C)C3=CC=CO3
InChI
InChI=1S/C17H18N4O2S/c1-3-21-16(14-8-5-9-23-14)19-20-17(21)24-11-15(22)18-13-7-4-6-12(2)10-13/h4-10H,3,11H2,1-2H3,(H,18,22)
InChIKey
OFYQUGGNMFYVNO-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.11505 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 179.1
[M+Na]+ 365.10427 192.1
[M+NH4]+ 360.14887 185.5
[M+K]+ 381.07821 187.5
[M-H]- 341.10777 184.3
[M+Na-2H]- 363.08972 186.3
[M]+ 342.11450 182.8
[M]- 342.11560 182.8
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.