CID 2198270

618413-14-2

Structural Information

Molecular Formula
C20H18N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CO4
InChI
InChI=1S/C20H18N4O2S/c1-2-24-19(17-11-6-12-26-17)22-23-20(24)27-13-18(25)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-12H,2,13H2,1H3,(H,21,25)
InChIKey
XZLKYBHDJDYSSI-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

378.11505 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12233 186.7
[M+Na]+ 401.10427 201.2
[M+NH4]+ 396.14887 194.0
[M+K]+ 417.07821 195.5
[M-H]- 377.10777 193.1
[M+Na-2H]- 399.08972 194.7
[M]+ 378.11450 191.1
[M]- 378.11560 191.1
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

patents stripe