CID 253994

4'-o-methylnorbelladine

Structural Information

Molecular Formula

C₁₆H₁₉NO₃

SMILES

COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3

InChIKey

SDLILULALIDNSO-UHFFFAOYSA-N

Compound name

5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 20
Patents: 273.1365 Da
Monoisotopic Mass: 2.5
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]+	274.14378	162.6
[M+Na]+	296.12572	169.2
[M-H]-	272.12922	166.8
[M+NH4]+	291.17032	177.4
[M+K]+	312.09966	164.8
[M+H-H2O]+	256.13376	155.0
[M+HCOO]-	318.13470	185.0
[M+CH3COO]-	332.15035	197.7
[M+Na-2H]-	294.11117	167.0
[M]+	273.13595	163.5
[M]-	273.13705	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe