CID 3051196

Brn 2776054

Structural Information

Molecular Formula

C₂₂H₂₇NO₃

SMILES

CC1=CC2=C(CCC2)C=C1CCNC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO3/c1-15-11-18-5-4-6-19(18)14-17(15)9-10-23-22(24)13-16-7-8-20(25-2)21(12-16)26-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,24)

InChIKey

JMDGXXMPYPRWFP-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 353.1991 Da
Monoisotopic Mass: 4.2
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]+	354.206376	187.1
[M+Na]+	376.188318	192.9
[M-H]-	352.191824	194.4
[M+NH4]+	371.232923	202.8
[M+K]+	392.162258	188.6
[M+H-H2O]+	336.196360	179.1
[M+HCOO]-	398.197301	208.6
[M+CH3COO]-	412.212951	218.9
[M+Na-2H]-	374.173766	186.9
[M]+	353.19855142	190.8
[M]-	353.19964858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe