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 181.3
[M+Na]+ 383.08584 184.5
[M-H]- 359.08934 185.9
[M+NH4]+ 378.13044 193.1
[M+K]+ 399.05978 177.6
[M+H-H2O]+ 343.09388 172.4
[M+HCOO]- 405.09482 194.0
[M+CH3COO]- 419.11047 214.4
[M+Na-2H]- 381.07129 182.3
[M]+ 360.09607 183.1
[M]- 360.09717 183.1
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.