CID 204609

2,3,10-trimethoxyberbine

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

COC1=CC2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1

InChI

InChI=1S/C20H23NO3/c1-22-16-5-4-13-9-18-17-11-20(24-3)19(23-2)10-14(17)6-7-21(18)12-15(13)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3

InChIKey

PTCKGHZCUIQESU-UHFFFAOYSA-N

Compound name

2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 325.1678 Da
Monoisotopic Mass: 3.3
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]+	326.175076	176.9
[M+Na]+	348.157018	184.4
[M-H]-	324.160524	181.1
[M+NH4]+	343.201623	192.8
[M+K]+	364.130958	180.0
[M+H-H2O]+	308.165060	167.4
[M+HCOO]-	370.166001	191.5
[M+CH3COO]-	384.181651	186.9
[M+Na-2H]-	346.142466	181.7
[M]+	325.16725142	178.7
[M]-	325.16834858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe