CID 218871

3-(6-(3,5-dibromo-2-pyridyloxy)hexyl)thiazolidine hydrochloride

Structural Information

Molecular Formula
C14H20Br2N2OS
SMILES
C1CSCN1CCCCCCOC2=C(C=C(C=N2)Br)Br
InChI
InChI=1S/C14H20Br2N2OS/c15-12-9-13(16)14(17-10-12)19-7-4-2-1-3-5-18-6-8-20-11-18/h9-10H,1-8,11H2
InChIKey
HLLFIUWFSCFSAG-UHFFFAOYSA-N
Compound name
3-[6-(3,5-dibromopyridin-2-yl)oxyhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.9663 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.97358 157.8
[M+Na]+ 444.95552 168.0
[M-H]- 420.95902 164.8
[M+NH4]+ 440.00012 173.7
[M+K]+ 460.92946 152.1
[M+H-H2O]+ 404.96356 165.7
[M+HCOO]- 466.96450 167.9
[M+CH3COO]- 480.98015 218.2
[M+Na-2H]- 442.94097 160.7
[M]+ 421.96575 194.3
[M]- 421.96685 194.3
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.