CID 3054929

71821-37-9

Structural Information

Molecular Formula
C17H14Cl3N3OS
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCSC3=NC=C(C=C3)Cl
InChI
InChI=1S/C17H14Cl3N3OS/c18-12-1-3-14(15(20)7-12)16(9-23-6-5-21-10-23)24-11-25-17-4-2-13(19)8-22-17/h1-8,10,16H,9,11H2
InChIKey
SWIKBGUPOIHMNQ-UHFFFAOYSA-N
Compound name
5-chloro-2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methylsulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.9923 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.99958 186.2
[M+Na]+ 435.98152 196.0
[M-H]- 411.98502 190.6
[M+NH4]+ 431.02612 196.5
[M+K]+ 451.95546 188.6
[M+H-H2O]+ 395.98956 177.2
[M+HCOO]- 457.99050 186.8
[M+CH3COO]- 472.00615 195.0
[M+Na-2H]- 433.96697 184.0
[M]+ 412.99175 193.1
[M]- 412.99285 193.1
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.