CID 4099472

303091-45-4

Structural Information

Molecular Formula
C18H16Cl4N2O2S2
SMILES
C1=CC(=C(C=C1NC(=O)CSCCSCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H16Cl4N2O2S2/c19-13-3-1-11(7-15(13)21)23-17(25)9-27-5-6-28-10-18(26)24-12-2-4-14(20)16(22)8-12/h1-4,7-8H,5-6,9-10H2,(H,23,25)(H,24,26)
InChIKey
WGYIBQIPORPMML-UHFFFAOYSA-N
Compound name
2-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylethylsulfanyl]-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.94073 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.94801 197.4
[M+Na]+ 518.92995 203.3
[M-H]- 494.93345 200.9
[M+NH4]+ 513.97455 206.6
[M+K]+ 534.90389 195.2
[M+H-H2O]+ 478.93799 194.0
[M+HCOO]- 540.93893 191.1
[M+CH3COO]- 554.95458 234.3
[M+Na-2H]- 516.91540 193.7
[M]+ 495.94018 203.5
[M]- 495.94128 203.5
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.