CID 3038800

Thiazolidine, 3-(5-(5-chloro-2-pyridyl)thiopentyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H19ClN2S2
SMILES
C1CSCN1CCCCCSC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H19ClN2S2/c14-12-4-5-13(15-10-12)18-8-3-1-2-6-16-7-9-17-11-16/h4-5,10H,1-3,6-9,11H2
InChIKey
KAGRMZFRRBQUMH-UHFFFAOYSA-N
Compound name
3-[5-(5-chloropyridin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07508 164.3
[M+Na]+ 325.05702 172.0
[M-H]- 301.06052 167.6
[M+NH4]+ 320.10162 180.5
[M+K]+ 341.03096 165.6
[M+H-H2O]+ 285.06506 157.5
[M+HCOO]- 347.06600 169.6
[M+CH3COO]- 361.08165 174.5
[M+Na-2H]- 323.04247 161.7
[M]+ 302.06725 167.4
[M]- 302.06835 167.4
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.