CID 3038796

Pyridine, 3,5-dibromo-2-((5-(3-thiazolidinyl)pentyl)thio)-, monohydrochloride

Structural Information

Molecular Formula
C13H18Br2N2S2
SMILES
C1CSCN1CCCCCSC2=C(C=C(C=N2)Br)Br
InChI
InChI=1S/C13H18Br2N2S2/c14-11-8-12(15)13(16-9-11)19-6-3-1-2-4-17-5-7-18-10-17/h8-9H,1-7,10H2
InChIKey
VZXBZHUKAGOSIB-UHFFFAOYSA-N
Compound name
3-[5-(3,5-dibromopyridin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.92783 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.93511 141.8
[M+Na]+ 446.91705 153.9
[M-H]- 422.92055 149.3
[M+NH4]+ 441.96165 158.5
[M+K]+ 462.89099 136.9
[M+H-H2O]+ 406.92509 151.0
[M+HCOO]- 468.92603 148.6
[M+CH3COO]- 482.94168 155.3
[M+Na-2H]- 444.90250 145.2
[M]+ 423.92728 177.7
[M]- 423.92838 177.7
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

No patent data available for this compound.