CID 40373

52401-02-2

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CN(C)CCC1(OC2=CC=CC=C2O1)C3=CC=CC=C3

InChI

InChI=1S/C17H19NO2/c1-18(2)13-12-17(14-8-4-3-5-9-14)19-15-10-6-7-11-16(15)20-17/h3-11H,12-13H2,1-2H3

InChIKey

FTWHMVPNRPOZFN-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(2-phenyl-1,3-benzodioxol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 269.14157 Da
Monoisotopic Mass: 3.5
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]+	270.148846	162.9
[M+Na]+	292.130788	170.0
[M-H]-	268.134294	173.0
[M+NH4]+	287.175393	181.6
[M+K]+	308.104728	169.6
[M+H-H2O]+	252.138830	155.8
[M+HCOO]-	314.139771	185.5
[M+CH3COO]-	328.155421	175.9
[M+Na-2H]-	290.116236	170.1
[M]+	269.14102142	166.4
[M]-	269.14211858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe