CID 9861306

Ys-49

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H19NO2/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,11-12,18,21-23H,8-10H2

InChIKey

YGCQFKVNIBDJFW-UHFFFAOYSA-N

Compound name

1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 26
Patents: 305.14157 Da
Monoisotopic Mass: 3.9
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]+	306.14885	173.3
[M+Na]+	328.13079	188.9
[M+NH4]+	323.17539	182.5
[M+K]+	344.10473	179.9
[M-H]-	304.13429	178.2
[M+Na-2H]-	326.11624	180.4
[M]+	305.14102	177.1
[M]-	305.14212	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe