CID 3054921

71821-27-7

Structural Information

Molecular Formula
C19H17Cl3N2S2
SMILES
C1=CC(=CC=C1SCCSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H17Cl3N2S2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22/h1-8,11,13,19H,9-10,12H2
InChIKey
XMQJIUNJTNTGCX-UHFFFAOYSA-N
Compound name
1-[2-[2-(4-chlorophenyl)sulfanylethylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.98987 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.99715 192.0
[M+Na]+ 464.97909 201.5
[M-H]- 440.98259 197.7
[M+NH4]+ 460.02369 203.3
[M+K]+ 480.95303 192.7
[M+H-H2O]+ 424.98713 185.1
[M+HCOO]- 486.98807 188.5
[M+CH3COO]- 501.00372 200.3
[M+Na-2H]- 462.96454 187.5
[M]+ 441.98932 198.7
[M]- 441.99042 198.7
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

patents stripe