CID 118536027

25d-nbome

Structural Information

Molecular Formula

C₁₉H₂₅NO₃

SMILES

CC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC

InChI

InChI=1S/C19H25NO3/c1-14-11-19(23-4)15(12-18(14)22-3)9-10-20-13-16-7-5-6-8-17(16)21-2/h5-8,11-12,20H,9-10,13H2,1-4H3

InChIKey

UTVHBNXCFSATDB-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxy-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 88
Patents: 315.18344 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]+	316.190716	176.1
[M+Na]+	338.172658	183.0
[M-H]-	314.176164	182.9
[M+NH4]+	333.217263	190.8
[M+K]+	354.146598	179.8
[M+H-H2O]+	298.180700	167.4
[M+HCOO]-	360.181641	200.3
[M+CH3COO]-	374.197291	212.7
[M+Na-2H]-	336.158106	178.9
[M]+	315.18289142	182.0
[M]-	315.18398858	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe