CID 3039129

Thiazolidine, 3-(10-(5-chloro-2-pyridyl)thiodecyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H29ClN2S2
SMILES
C1CSCN1CCCCCCCCCCSC2=NC=C(C=C2)Cl
InChI
InChI=1S/C18H29ClN2S2/c19-17-9-10-18(20-15-17)23-13-8-6-4-2-1-3-5-7-11-21-12-14-22-16-21/h9-10,15H,1-8,11-14,16H2
InChIKey
GIVJBYJYIOVGQX-UHFFFAOYSA-N
Compound name
3-[10-(5-chloropyridin-2-yl)sulfanyldecyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.14606 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15334 184.4
[M+Na]+ 395.13528 189.9
[M-H]- 371.13878 186.7
[M+NH4]+ 390.17988 197.7
[M+K]+ 411.10922 182.3
[M+H-H2O]+ 355.14332 176.5
[M+HCOO]- 417.14426 188.1
[M+CH3COO]- 431.15991 212.4
[M+Na-2H]- 393.12073 179.7
[M]+ 372.14551 189.2
[M]- 372.14661 189.2
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.