CID 218877

41287-95-0

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CC1=CN=C(C=C1)OCCCCCN2CCSC2
InChI
InChI=1S/C14H22N2OS/c1-13-5-6-14(15-11-13)17-9-4-2-3-7-16-8-10-18-12-16/h5-6,11H,2-4,7-10,12H2,1H3
InChIKey
QELWZTXUTMBZNV-UHFFFAOYSA-N
Compound name
3-[5-(5-methylpyridin-2-yl)oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.1453 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15258 162.2
[M+Na]+ 289.13452 168.3
[M-H]- 265.13802 165.5
[M+NH4]+ 284.17912 178.5
[M+K]+ 305.10846 164.6
[M+H-H2O]+ 249.14256 153.8
[M+HCOO]- 311.14350 177.3
[M+CH3COO]- 325.15915 194.8
[M+Na-2H]- 287.11997 161.7
[M]+ 266.14475 164.5
[M]- 266.14585 164.5
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