CID 218889

Thiazolidine, 3-(8-(5-bromo-2-pyridyloxy)octyl)-, hydrochloride

Structural Information

Molecular Formula
C16H25BrN2OS
SMILES
C1CSCN1CCCCCCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C16H25BrN2OS/c17-15-7-8-16(18-13-15)20-11-6-4-2-1-3-5-9-19-10-12-21-14-19/h7-8,13H,1-6,9-12,14H2
InChIKey
XSZBKKSWUMVLQQ-UHFFFAOYSA-N
Compound name
3-[8-(5-bromopyridin-2-yl)oxyoctyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.0871 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09438 173.8
[M+Na]+ 395.07632 182.7
[M-H]- 371.07982 179.5
[M+NH4]+ 390.12092 190.0
[M+K]+ 411.05026 170.2
[M+H-H2O]+ 355.08436 172.0
[M+HCOO]- 417.08530 186.6
[M+CH3COO]- 431.10095 209.2
[M+Na-2H]- 393.06177 174.6
[M]+ 372.08655 195.4
[M]- 372.08765 195.4
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