CID 218544

40771-33-3

Structural Information

Molecular Formula
C14H21ClN2OS
SMILES
C1CSCN1CCCCCCOC2=NC=C(C=C2)Cl
InChI
InChI=1S/C14H21ClN2OS/c15-13-5-6-14(16-11-13)18-9-4-2-1-3-7-17-8-10-19-12-17/h5-6,11H,1-4,7-10,12H2
InChIKey
LMNRMWSBHXONNK-UHFFFAOYSA-N
Compound name
3-[6-[(5-chloro-2-pyridinyl)oxy]hexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.10632 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11360 168.4
[M+Na]+ 323.09554 175.1
[M-H]- 299.09904 171.6
[M+NH4]+ 318.14014 184.1
[M+K]+ 339.06948 169.8
[M+H-H2O]+ 283.10358 160.4
[M+HCOO]- 345.10452 178.8
[M+CH3COO]- 359.12017 198.5
[M+Na-2H]- 321.08099 167.4
[M]+ 300.10577 172.4
[M]- 300.10687 172.4
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

patents stripe