CID 3050177

Brn 4492759

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)NC=O

InChI

InChI=1S/C18H21NO3/c1-13-4-7-15(8-5-13)16(19-12-20)10-14-6-9-17(21-2)18(11-14)22-3/h4-9,11-12,16H,10H2,1-3H3,(H,19,20)

InChIKey

GFBZBTGJEJNXJN-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)ethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 299.15213 Da
Monoisotopic Mass: 3.3
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]+	300.159406	170.6
[M+Na]+	322.141348	177.1
[M-H]-	298.144854	177.3
[M+NH4]+	317.185953	185.5
[M+K]+	338.115288	174.0
[M+H-H2O]+	282.149390	162.2
[M+HCOO]-	344.150331	194.5
[M+CH3COO]-	358.165981	208.6
[M+Na-2H]-	320.126796	173.5
[M]+	299.15158142	174.5
[M]-	299.15267858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe