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 183.7
[M+Na]+ 394.07668 193.8
[M-H]- 370.08018 192.3
[M+NH4]+ 389.12128 197.0
[M+K]+ 410.05062 187.3
[M+H-H2O]+ 354.08472 175.1
[M+HCOO]- 416.08566 200.7
[M+CH3COO]- 430.10131 194.6
[M+Na-2H]- 392.06213 183.1
[M]+ 371.08691 190.0
[M]- 371.08801 190.0
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.