CID 3846478

222403-70-5

Structural Information

Molecular Formula
C18H20N2O2S2
SMILES
C1=CC=C(C=C1)NC(=O)CSCCSCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2S2/c21-17(19-15-7-3-1-4-8-15)13-23-11-12-24-14-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKey
SEQDGQDHIZDWHK-UHFFFAOYSA-N
Compound name
2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.09662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10390 178.6
[M+Na]+ 383.08584 188.1
[M+NH4]+ 378.13044 186.1
[M+K]+ 399.05978 177.4
[M-H]- 359.08934 183.2
[M+Na-2H]- 381.07129 185.9
[M]+ 360.09607 182.0
[M]- 360.09717 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.