CID 3038822

Thiazolidine, 3-(10-(3,5-dichloro-2-pyridyl)thiodecyl)-, hydrochloride

Structural Information

Molecular Formula
C18H28Cl2N2S2
SMILES
C1CSCN1CCCCCCCCCCSC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C18H28Cl2N2S2/c19-16-13-17(20)18(21-14-16)24-11-8-6-4-2-1-3-5-7-9-22-10-12-23-15-22/h13-14H,1-12,15H2
InChIKey
ZLTOGLXPMRTGNO-UHFFFAOYSA-N
Compound name
3-[10-(3,5-dichloropyridin-2-yl)sulfanyldecyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1071 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11438 190.1
[M+Na]+ 429.09632 196.3
[M-H]- 405.09982 192.3
[M+NH4]+ 424.14092 202.7
[M+K]+ 445.07026 188.0
[M+H-H2O]+ 389.10436 183.0
[M+HCOO]- 451.10530 188.7
[M+CH3COO]- 465.12095 217.4
[M+Na-2H]- 427.08177 184.1
[M]+ 406.10655 195.8
[M]- 406.10765 195.8
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.