CID 3038798

Thiazolidine, 3-(5-(5-bromo-2-pyridyl)thiopentyl)-, hydrochloride

Structural Information

Molecular Formula
C13H19BrN2S2
SMILES
C1CSCN1CCCCCSC2=NC=C(C=C2)Br
InChI
InChI=1S/C13H19BrN2S2/c14-12-4-5-13(15-10-12)18-8-3-1-2-6-16-7-9-17-11-16/h4-5,10H,1-3,6-9,11H2
InChIKey
GRTSICPOLMOWMG-UHFFFAOYSA-N
Compound name
3-[5-(5-bromopyridin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0173 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02458 154.0
[M+Na]+ 369.00652 165.5
[M-H]- 345.01002 160.3
[M+NH4]+ 364.05112 172.0
[M+K]+ 384.98046 152.2
[M+H-H2O]+ 329.01456 154.0
[M+HCOO]- 391.01550 163.0
[M+CH3COO]- 405.03115 167.1
[M+Na-2H]- 366.99197 155.2
[M]+ 346.01675 174.3
[M]- 346.01785 174.3
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.