CID 1989962

557755-51-8

Structural Information

Molecular Formula
C19H22N4OS2
SMILES
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C
InChI
InChI=1S/C19H22N4OS2/c1-4-14-9-6-8-13(3)17(14)20-16(24)12-26-19-22-21-18(23(19)5-2)15-10-7-11-25-15/h6-11H,4-5,12H2,1-3H3,(H,20,24)
InChIKey
KOGQUORXTRKPIA-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1235 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13078 189.2
[M+Na]+ 409.11272 200.1
[M-H]- 385.11622 196.9
[M+NH4]+ 404.15732 202.2
[M+K]+ 425.08666 193.0
[M+H-H2O]+ 369.12076 181.5
[M+HCOO]- 431.12170 203.0
[M+CH3COO]- 445.13735 199.8
[M+Na-2H]- 407.09817 185.0
[M]+ 386.12295 196.7
[M]- 386.12405 196.7
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.