CID 3038818

Thiazolidine, 3-(8-(5-chloro-2-pyridyl)thiooctyl)-, hydrochloride

Structural Information

Molecular Formula
C16H25ClN2S2
SMILES
C1CSCN1CCCCCCCCSC2=NC=C(C=C2)Cl
InChI
InChI=1S/C16H25ClN2S2/c17-15-7-8-16(18-13-15)21-11-6-4-2-1-3-5-9-19-10-12-20-14-19/h7-8,13H,1-6,9-12,14H2
InChIKey
OEDLQCWYUZPLJG-UHFFFAOYSA-N
Compound name
3-[8-(5-chloropyridin-2-yl)sulfanyloctyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11478 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12206 176.4
[M+Na]+ 367.10400 182.8
[M-H]- 343.10750 179.2
[M+NH4]+ 362.14860 190.9
[M+K]+ 383.07794 175.7
[M+H-H2O]+ 327.11204 169.0
[M+HCOO]- 389.11298 180.7
[M+CH3COO]- 403.12863 206.7
[M+Na-2H]- 365.08945 172.5
[M]+ 344.11423 180.5
[M]- 344.11533 180.5
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.