CID 6885677

361165-38-0

Structural Information

Molecular Formula
C17H17N5OS2
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N5OS2/c1-2-22-16(13-7-4-3-5-8-13)20-21-17(22)25-12-15(23)19-18-11-14-9-6-10-24-14/h3-11H,2,12H2,1H3,(H,19,23)/b18-11+
InChIKey
JTNCVAOUSIUHMU-WOJGMQOQSA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.08746 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09474 182.1
[M+Na]+ 394.07668 193.4
[M+NH4]+ 389.12128 189.0
[M+K]+ 410.05062 186.0
[M-H]- 370.08018 187.1
[M+Na-2H]- 392.06213 190.0
[M]+ 371.08691 185.8
[M]- 371.08801 185.8
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.