CID 5273053

Chembl79005

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₄

SMILES

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)CCO)C)C3=NOC(=N3)C

InChI

InChI=1S/C19H23N3O4/c1-12-9-15(19-20-14(3)25-22-19)10-13(2)18(12)24-8-4-5-17-11-16(6-7-23)21-26-17/h9-11,23H,4-8H2,1-3H3

InChIKey

QFQMWPKKAPBYPA-UHFFFAOYSA-N

Compound name

2-[5-[3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 357.16885 Da
Monoisotopic Mass: 3.3
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]+	358.176126	184.5
[M+Na]+	380.158068	194.7
[M-H]-	356.161574	191.9
[M+NH4]+	375.202673	194.0
[M+K]+	396.132008	192.2
[M+H-H2O]+	340.166110	175.6
[M+HCOO]-	402.167051	204.8
[M+CH3COO]-	416.182701	212.5
[M+Na-2H]-	378.143516	184.4
[M]+	357.16830142	194.1
[M]-	357.16939858	194.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.