CID 218897

3-(5-(5-bromo-2-pyridyloxy)pentyl)-3-methylthiazolidinium chloride

Structural Information

Molecular Formula
C14H22BrN2OS
SMILES
C[N+]1(CCSC1)CCCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C14H22BrN2OS/c1-17(8-10-19-12-17)7-3-2-4-9-18-14-6-5-13(15)11-16-14/h5-6,11H,2-4,7-10,12H2,1H3/q+1
InChIKey
CDKHJUNIIFMJEU-UHFFFAOYSA-N
Compound name
3-[5-(5-bromopyridin-2-yl)oxypentyl]-3-methyl-1,3-thiazolidin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.06363 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07091 162.7
[M+Na]+ 368.05285 173.1
[M-H]- 344.05635 169.4
[M+NH4]+ 363.09745 181.9
[M+K]+ 384.02679 156.3
[M+H-H2O]+ 328.06089 164.9
[M+HCOO]- 390.06183 176.0
[M+CH3COO]- 404.07748 197.3
[M+Na-2H]- 366.03830 168.3
[M]+ 345.06308 182.8
[M]- 345.06418 182.8
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.