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-dibromo-2-pyridinyl)oxy]pentyl]-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]+ 408.957926 154.0
[M+Na]+ 430.939868 164.6
[M-H]- 406.943374 161.2
[M+NH4]+ 425.984473 170.3
[M+K]+ 446.913808 148.9
[M+H-H2O]+ 390.947910 162.1
[M+HCOO]- 452.948851 164.4
[M+CH3COO]- 466.964501 216.0
[M+Na-2H]- 428.925316 157.3
[M]+ 407.95010142 190.3
[M]- 407.95119858 190.3
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.