CID 1987513

556804-75-2

Structural Information

Molecular Formula
C19H22N4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C3=CC=CS3
InChI
InChI=1S/C19H22N4OS2/c1-5-23-18(15-7-6-8-25-15)21-22-19(23)26-11-16(24)20-17-13(3)9-12(2)10-14(17)4/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKey
YDFAUKUIKUSGDO-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1235 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13078 189.7
[M+Na]+ 409.11272 201.3
[M-H]- 385.11622 197.7
[M+NH4]+ 404.15732 202.9
[M+K]+ 425.08666 194.1
[M+H-H2O]+ 369.12076 182.2
[M+HCOO]- 431.12170 203.3
[M+CH3COO]- 445.13735 200.5
[M+Na-2H]- 407.09817 184.8
[M]+ 386.12295 197.5
[M]- 386.12405 197.5
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.