CID 218548

40771-37-7

Structural Information

Molecular Formula
C15H23ClN2S2
SMILES
C1CSCN1CCCCCCCSC2=NC=C(C=C2)Cl
InChI
InChI=1S/C15H23ClN2S2/c16-14-6-7-15(17-12-14)20-10-5-3-1-2-4-8-18-9-11-19-13-18/h6-7,12H,1-5,8-11,13H2
InChIKey
OMNMNWKYKSNGKH-UHFFFAOYSA-N
Compound name
3-[7-(5-chloropyridin-2-yl)sulfanylheptyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.09912 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10640 172.4
[M+Na]+ 353.08834 179.2
[M-H]- 329.09184 175.3
[M+NH4]+ 348.13294 187.4
[M+K]+ 369.06228 172.4
[M+H-H2O]+ 313.09638 165.1
[M+HCOO]- 375.09732 177.0
[M+CH3COO]- 389.11297 203.8
[M+Na-2H]- 351.07379 169.0
[M]+ 330.09857 176.2
[M]- 330.09967 176.2
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.