CID 209426

3,9,10-trimethoxyberbine

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

COC1=CC2=C(C=C1)C3CC4=C(CN3CC2)C(=C(C=C4)OC)OC

InChI

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

InChIKey

UPXYTXFSZSYUNV-UHFFFAOYSA-N

Compound name

3,9,10-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

literature stripe

Patent stripe

patents stripe