CID 10199287

Nps r-467

Structural Information

Molecular Formula

C₁₈H₂₃NO

SMILES

C[C@H](C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO/c1-15(17-11-6-12-18(14-17)20-2)19-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15,19H,7,10,13H2,1-2H3/t15-/m1/s1

InChIKey

WOPAHKKTEVUGOE-OAHLLOKOSA-N

Compound name

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 34
References: 247
Patents: 269.17798 Da
Monoisotopic Mass: 4.0
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]+	270.185256	165.7
[M+Na]+	292.167198	170.3
[M-H]-	268.170704	171.6
[M+NH4]+	287.211803	181.5
[M+K]+	308.141138	166.4
[M+H-H2O]+	252.175240	157.4
[M+HCOO]-	314.176181	189.0
[M+CH3COO]-	328.191831	202.9
[M+Na-2H]-	290.152646	170.0
[M]+	269.17743142	166.6
[M]-	269.17852858	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe