CID 218881

Thiazolidine, 3-(7-(5-bromo-2-pyridyloxy)heptyl)-, hydrochloride

Structural Information

Molecular Formula
C15H23BrN2OS
SMILES
C1CSCN1CCCCCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C15H23BrN2OS/c16-14-6-7-15(17-12-14)19-10-5-3-1-2-4-8-18-9-11-20-13-18/h6-7,12H,1-5,8-11,13H2
InChIKey
AXIUXAUKZVYOGN-UHFFFAOYSA-N
Compound name
3-[7-(5-bromopyridin-2-yl)oxyheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.07144 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07872 169.5
[M+Na]+ 381.06066 178.9
[M-H]- 357.06416 175.4
[M+NH4]+ 376.10526 186.3
[M+K]+ 397.03460 166.7
[M+H-H2O]+ 341.06870 168.0
[M+HCOO]- 403.06964 182.7
[M+CH3COO]- 417.08529 206.5
[M+Na-2H]- 379.04611 170.8
[M]+ 358.07089 190.9
[M]- 358.07199 190.9
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

patents stripe