CID 455266

Tgg-ii-23b

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

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

InChI

InChI=1S/C18H21NO2/c1-12-10-15(20-5)18(4,14-9-7-6-8-13(12)14)16-19-17(2,3)11-21-16/h6-10H,1,11H2,2-5H3

InChIKey

UCMYCVHAGGZMHM-UHFFFAOYSA-N

Compound name

2-(2-methoxy-1-methyl-4-methylidenenaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.15723 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]+	284.164506	164.2
[M+Na]+	306.146448	174.7
[M-H]-	282.149954	172.0
[M+NH4]+	301.191053	184.9
[M+K]+	322.120388	171.4
[M+H-H2O]+	266.154490	157.4
[M+HCOO]-	328.155431	183.5
[M+CH3COO]-	342.171081	177.3
[M+Na-2H]-	304.131896	168.9
[M]+	283.15668142	167.0
[M]-	283.15777858	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.