CID 3038790

Thiazolidine, 3-(4-(3,5-dichloro-2-pyridyl)thiobutyl)-, hydrochloride

Structural Information

Molecular Formula
C12H16Cl2N2S2
SMILES
C1CSCN1CCCCSC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C12H16Cl2N2S2/c13-10-7-11(14)12(15-8-10)18-5-2-1-3-16-4-6-17-9-16/h7-8H,1-6,9H2
InChIKey
BMYZVOHHDIOVCQ-UHFFFAOYSA-N
Compound name
3-[4-(3,5-dichloropyridin-2-yl)sulfanylbutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.01318 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02046 166.2
[M+Na]+ 345.00240 175.0
[M-H]- 321.00590 169.5
[M+NH4]+ 340.04700 182.1
[M+K]+ 360.97634 168.1
[M+H-H2O]+ 305.01044 160.3
[M+HCOO]- 367.01138 166.6
[M+CH3COO]- 381.02703 176.2
[M+Na-2H]- 342.98785 162.7
[M]+ 322.01263 169.9
[M]- 322.01373 169.9
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.