CID 5273093

107334-29-2

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂S

SMILES

CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NC(=C(S3)C)C

InChI

InChI=1S/C20H24N2O2S/c1-14-13-19(24-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)25-20/h8-11,13H,4-7,12H2,1-3H3

InChIKey

AQIFIOHOLZILQW-UHFFFAOYSA-N

Compound name

5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 356.15585 Da
Monoisotopic Mass: 5.3
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]+	357.16313	185.1
[M+Na]+	379.14507	195.9
[M-H]-	355.14857	194.7
[M+NH4]+	374.18967	199.2
[M+K]+	395.11901	191.6
[M+H-H2O]+	339.15311	177.3
[M+HCOO]-	401.15405	204.3
[M+CH3COO]-	415.16970	197.3
[M+Na-2H]-	377.13052	182.6
[M]+	356.15530	195.3
[M]-	356.15640	195.3

Literature stripe

literature stripe

Patent stripe

patents stripe