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-methyl-2-pyridinyl)oxy]pentyl]-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.152576	162.2
[M+Na]+	289.134518	168.3
[M-H]-	265.138024	165.5
[M+NH4]+	284.179123	178.5
[M+K]+	305.108458	164.6
[M+H-H2O]+	249.142560	153.8
[M+HCOO]-	311.143501	177.3
[M+CH3COO]-	325.159151	194.8
[M+Na-2H]-	287.119966	161.7
[M]+	266.14475142	164.5
[M]-	266.14584858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe