CID 218853

41287-80-3

Structural Information

Molecular Formula
C13H18Br2N2OS
SMILES
C1CSCN1CCCCCOC2=C(C=C(C=N2)Br)Br
InChI
InChI=1S/C13H18Br2N2OS/c14-11-8-12(15)13(16-9-11)18-6-3-1-2-4-17-5-7-19-10-17/h8-9H,1-7,10H2
InChIKey
GHOQOQWCVPQIQW-UHFFFAOYSA-N
Compound name
3-[5-(3,5-dibromopyridin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.95065 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.95793 163.0
[M+Na]+ 430.93987 157.1
[M+NH4]+ 425.98447 164.7
[M+K]+ 446.91381 162.8
[M-H]- 406.94337 163.9
[M+Na-2H]- 428.92532 163.7
[M]+ 407.95010 161.5
[M]- 407.95120 161.5
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.