CID 2729573

N-(3-chlorophenyl)-2-{[2-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)ethyl]sulfanyl}acetamide

Structural Information

Molecular Formula
C18H18Cl2N2O2S2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CSCCSCC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C18H18Cl2N2O2S2/c19-13-3-1-5-15(9-13)21-17(23)11-25-7-8-26-12-18(24)22-16-6-2-4-14(20)10-16/h1-6,9-10H,7-8,11-12H2,(H,21,23)(H,22,24)
InChIKey
RQIDJKJFDYUEOZ-UHFFFAOYSA-N
Compound name
2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylethylsulfanyl]-N-(3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.01868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.02596 190.3
[M+Na]+ 451.00790 195.8
[M-H]- 427.01140 195.5
[M+NH4]+ 446.05250 201.6
[M+K]+ 466.98184 187.0
[M+H-H2O]+ 411.01594 184.3
[M+HCOO]- 473.01688 194.0
[M+CH3COO]- 487.03253 224.0
[M+Na-2H]- 448.99335 189.4
[M]+ 428.01813 196.4
[M]- 428.01923 196.4
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.