CID 3038833

Thiazolidine, 3-(5-(4,6-dimethyl-2-quinolinyl)thiopentyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H26N2S2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C)SCCCCCN3CCSC3
InChI
InChI=1S/C19H26N2S2/c1-15-6-7-18-17(12-15)16(2)13-19(20-18)23-10-5-3-4-8-21-9-11-22-14-21/h6-7,12-13H,3-5,8-11,14H2,1-2H3
InChIKey
DFQZPNMHDVETTM-UHFFFAOYSA-N
Compound name
3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15375 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16103 178.8
[M+Na]+ 369.14297 186.7
[M-H]- 345.14647 182.9
[M+NH4]+ 364.18757 193.9
[M+K]+ 385.11691 179.7
[M+H-H2O]+ 329.15101 171.4
[M+HCOO]- 391.15195 186.9
[M+CH3COO]- 405.16760 188.3
[M+Na-2H]- 367.12842 176.2
[M]+ 346.15320 182.3
[M]- 346.15430 182.3
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.