CID 5272155

98033-95-5

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₃

SMILES

CC1=NOC(=C1)CCCCOC2=CC=C(C=C2)C3=NCCO3

InChI

InChI=1S/C17H20N2O3/c1-13-12-16(22-19-13)4-2-3-10-20-15-7-5-14(6-8-15)17-18-9-11-21-17/h5-8,12H,2-4,9-11H2,1H3

InChIKey

BTENOQSYMMDCDC-UHFFFAOYSA-N

Compound name

5-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butyl]-3-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6
Patents: 300.1474 Da
Monoisotopic Mass: 3.0
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]+	301.15468	168.8
[M+Na]+	323.13662	176.0
[M-H]-	299.14012	177.2
[M+NH4]+	318.18122	181.8
[M+K]+	339.11056	174.8
[M+H-H2O]+	283.14466	160.2
[M+HCOO]-	345.14560	189.7
[M+CH3COO]-	359.16125	180.6
[M+Na-2H]-	321.12207	170.7
[M]+	300.14685	173.7
[M]-	300.14795	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe