CID 3054937

Sgd 1178

Structural Information

Molecular Formula
C20H20Cl2N2OS
SMILES
C1=CC=C(C=C1)OCCCSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H20Cl2N2OS/c21-16-7-8-18(19(22)13-16)20(14-24-10-9-23-15-24)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,13,15,20H,4,11-12,14H2
InChIKey
CSPCACPNSQCZPN-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(3-phenoxypropylsulfanyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.06735 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07463 191.9
[M+Na]+ 429.05657 200.1
[M-H]- 405.06007 198.2
[M+NH4]+ 424.10117 203.6
[M+K]+ 445.03051 192.1
[M+H-H2O]+ 389.06461 182.8
[M+HCOO]- 451.06555 198.4
[M+CH3COO]- 465.08120 201.0
[M+Na-2H]- 427.04202 189.9
[M]+ 406.06680 199.2
[M]- 406.06790 199.2
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