CID 32361

Nsc 9108

Structural Information

Molecular Formula

C₂₀H₂₇NO₂

SMILES

CC(CC1=CC=CC=C1OC)NC(C)CC2=CC=CC=C2OC

InChI

InChI=1S/C20H27NO2/c1-15(13-17-9-5-7-11-19(17)22-3)21-16(2)14-18-10-6-8-12-20(18)23-4/h5-12,15-16,21H,13-14H2,1-4H3

InChIKey

SKVZMKWCURTNKK-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 313.2042 Da
Monoisotopic Mass: 4.5
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]+	314.211476	178.5
[M+Na]+	336.193418	182.7
[M-H]-	312.196924	184.4
[M+NH4]+	331.238023	192.6
[M+K]+	352.167358	179.6
[M+H-H2O]+	296.201460	169.7
[M+HCOO]-	358.202401	200.2
[M+CH3COO]-	372.218051	212.9
[M+Na-2H]-	334.178866	179.7
[M]+	313.20365142	181.3
[M]-	313.20474858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.