CID 3011771

Schembl11701108

Structural Information

Molecular Formula
C20H20Cl2N2S
SMILES
CCCC(C1=CC=CC=C1SCC2=CC(=C(C=C2)Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C20H20Cl2N2S/c1-2-5-19(24-11-10-23-14-24)16-6-3-4-7-20(16)25-13-15-8-9-17(21)18(22)12-15/h3-4,6-12,14,19H,2,5,13H2,1H3
InChIKey
SDTXUHZMQCAWCW-UHFFFAOYSA-N
Compound name
1-[1-[2-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

390.07242 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07970 189.3
[M+Na]+ 413.06164 198.6
[M-H]- 389.06514 195.9
[M+NH4]+ 408.10624 202.0
[M+K]+ 429.03558 190.0
[M+H-H2O]+ 373.06968 180.6
[M+HCOO]- 435.07062 195.5
[M+CH3COO]- 449.08627 198.9
[M+Na-2H]- 411.04709 186.4
[M]+ 390.07187 195.7
[M]- 390.07297 195.7
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