CID 3038792

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

Structural Information

Molecular Formula
C12H17BrN2S2
SMILES
C1CSCN1CCCCSC2=NC=C(C=C2)Br
InChI
InChI=1S/C12H17BrN2S2/c13-11-3-4-12(14-9-11)17-7-2-1-5-15-6-8-16-10-15/h3-4,9H,1-2,5-8,10H2
InChIKey
FSVUJCQEJAYTDK-UHFFFAOYSA-N
Compound name
3-[4-(5-bromopyridin-2-yl)sulfanylbutyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.00165 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.00893 149.9
[M+Na]+ 354.99087 161.8
[M-H]- 330.99437 156.5
[M+NH4]+ 350.03547 168.5
[M+K]+ 370.96481 148.8
[M+H-H2O]+ 314.99891 150.1
[M+HCOO]- 376.99985 159.3
[M+CH3COO]- 391.01550 163.4
[M+Na-2H]- 352.97632 151.6
[M]+ 332.00110 170.0
[M]- 332.00220 170.0
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.