CID 218546

40771-34-4

Structural Information

Molecular Formula
C14H21IN2OS
SMILES
C1CSCN1CCCCCCOC2=NC=C(C=C2)I
InChI
InChI=1S/C14H21IN2OS/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
SWTCBWFHRCLWMP-UHFFFAOYSA-N
Compound name
3-[6-[(5-iodo-2-pyridinyl)oxy]hexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.04193 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04921 172.5
[M+Na]+ 415.03115 171.4
[M-H]- 391.03465 168.4
[M+NH4]+ 410.07575 183.2
[M+K]+ 431.00509 173.3
[M+H-H2O]+ 375.03919 160.4
[M+HCOO]- 437.04013 182.7
[M+CH3COO]- 451.05578 205.1
[M+Na-2H]- 413.01660 160.3
[M]+ 392.04138 172.0
[M]- 392.04248 172.0
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