CID 6447779

Oxazole, 4,5-dihydro-2-(2-(3,4-dimethoxyphenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (e)-

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

CC1(COC(=N1)/C=C/C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C15H19NO3/c1-15(2)10-19-14(16-15)8-6-11-5-7-12(17-3)13(9-11)18-4/h5-9H,10H2,1-4H3/b8-6+

InChIKey

RDVYEDSMMZFQLF-SOFGYWHQSA-N

Compound name

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.1365 Da
Monoisotopic Mass: 2.4
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]+	262.143776	158.1
[M+Na]+	284.125718	167.3
[M-H]-	260.129224	164.7
[M+NH4]+	279.170323	176.5
[M+K]+	300.099658	165.7
[M+H-H2O]+	244.133760	151.4
[M+HCOO]-	306.134701	180.3
[M+CH3COO]-	320.150351	195.5
[M+Na-2H]-	282.111166	162.2
[M]+	261.13595142	163.1
[M]-	261.13704858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.