CID 3038812

Thiazolidine, 3-(7-(3,5-dichloro-2-pyridyl)thioheptyl)-, hydrochloride

Structural Information

Molecular Formula
C15H22Cl2N2S2
SMILES
C1CSCN1CCCCCCCSC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C15H22Cl2N2S2/c16-13-10-14(17)15(18-11-13)21-8-5-3-1-2-4-6-19-7-9-20-12-19/h10-11H,1-9,12H2
InChIKey
DRJFBYHYFHQRMG-UHFFFAOYSA-N
Compound name
3-[7-(3,5-dichloropyridin-2-yl)sulfanylheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.06015 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06743 178.2
[M+Na]+ 387.04937 185.8
[M-H]- 363.05287 181.0
[M+NH4]+ 382.09397 192.5
[M+K]+ 403.02331 178.1
[M+H-H2O]+ 347.05741 171.7
[M+HCOO]- 409.05835 177.8
[M+CH3COO]- 423.07400 187.0
[M+Na-2H]- 385.03482 173.5
[M]+ 364.05960 183.0
[M]- 364.06070 183.0
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.