CID 370783

Nsc644306

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

CC1(COC(=N1)C2(C3=CC=CC=C3C(=O)C=C2OC)C)C

InChI

InChI=1S/C17H19NO3/c1-16(2)10-21-15(18-16)17(3)12-8-6-5-7-11(12)13(19)9-14(17)20-4/h5-9H,10H2,1-4H3

InChIKey

NCSACWQKNNBSQT-UHFFFAOYSA-N

Compound name

4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methylnaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 285.1365 Da
Monoisotopic Mass: 2.1
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]+	286.143776	162.9
[M+Na]+	308.125718	173.6
[M-H]-	284.129224	170.8
[M+NH4]+	303.170323	183.4
[M+K]+	324.099658	171.2
[M+H-H2O]+	268.133760	156.2
[M+HCOO]-	330.134701	182.6
[M+CH3COO]-	344.150351	201.0
[M+Na-2H]-	306.111166	168.2
[M]+	285.13595142	166.8
[M]-	285.13704858	166.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.