CID 3038827

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

Structural Information

Molecular Formula
C18H23ClN2S2
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Cl)SCCCCCN3CCSC3
InChI
InChI=1S/C18H23ClN2S2/c1-14-11-18(20-17-6-5-15(19)12-16(14)17)23-9-4-2-3-7-21-8-10-22-13-21/h5-6,11-12H,2-4,7-10,13H2,1H3
InChIKey
ADCIHYQKOTTZQU-UHFFFAOYSA-N
Compound name
3-[5-(6-chloro-4-methylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.09912 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10640 181.3
[M+Na]+ 389.08834 190.0
[M-H]- 365.09184 185.4
[M+NH4]+ 384.13294 196.4
[M+K]+ 405.06228 182.1
[M+H-H2O]+ 349.09638 174.5
[M+HCOO]- 411.09732 185.0
[M+CH3COO]- 425.11297 190.7
[M+Na-2H]- 387.07379 178.6
[M]+ 366.09857 186.1
[M]- 366.09967 186.1
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.