CID 1071878

557072-68-1

Structural Information

Molecular Formula
C17H18N4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C)C3=CC=CS3
InChI
InChI=1S/C17H18N4OS2/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
QLZSFQPGGCWHEV-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0922 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09948 180.3
[M+Na]+ 381.08142 192.7
[M+NH4]+ 376.12602 187.6
[M+K]+ 397.05536 185.3
[M-H]- 357.08492 184.9
[M+Na-2H]- 379.06687 187.6
[M]+ 358.09165 184.2
[M]- 358.09275 184.2
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.