CID 3038814

Thiazolidine, 3-(7-(5-bromo-2-pyridyl)thioheptyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H23BrN2S2
SMILES
C1CSCN1CCCCCCCSC2=NC=C(C=C2)Br
InChI
InChI=1S/C15H23BrN2S2/c16-14-6-7-15(17-12-14)20-10-5-3-1-2-4-8-18-9-11-19-13-18/h6-7,12H,1-5,8-11,13H2
InChIKey
SDUIMMCEAIODEA-UHFFFAOYSA-N
Compound name
3-[7-(5-bromopyridin-2-yl)sulfanylheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0486 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05588 162.0
[M+Na]+ 397.03782 172.6
[M-H]- 373.04132 168.0
[M+NH4]+ 392.08242 179.0
[M+K]+ 413.01176 158.9
[M+H-H2O]+ 357.04586 161.6
[M+HCOO]- 419.04680 170.5
[M+CH3COO]- 433.06245 208.7
[M+Na-2H]- 395.02327 162.4
[M]+ 374.04805 183.0
[M]- 374.04915 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.