CID 19009

Palmatine

Structural Information

Molecular Formula

C₂₁H₂₂NO₄

SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC

InChI

InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1

InChIKey

QUCQEUCGKKTEBI-UHFFFAOYSA-N

Compound name

2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 526
References: 4253
Patents: 352.15488 Da
Monoisotopic Mass: 3.7
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]+	353.162156	186.8
[M+Na]+	375.144098	196.0
[M-H]-	351.147604	192.2
[M+NH4]+	370.188703	201.5
[M+K]+	391.118038	186.5
[M+H-H2O]+	335.152140	179.6
[M+HCOO]-	397.153081	203.5
[M+CH3COO]-	411.168731	212.0
[M+Na-2H]-	373.129546	194.6
[M]+	352.15433142	192.3
[M]-	352.15542858	192.3

Literature stripe

literature stripe

Patent stripe

patents stripe