CID 7037179

Coreximine

Structural Information

Molecular Formula

C₁₉H₂₁NO₄

SMILES

COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O

InChI

InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1

InChIKey

BWUQAWCUJMATJS-HNNXBMFYSA-N

Compound name

(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 188
Patents: 327.14706 Da
Monoisotopic Mass: 2.6
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]+	328.154336	175.5
[M+Na]+	350.136278	183.3
[M-H]-	326.139784	177.6
[M+NH4]+	345.180883	190.2
[M+K]+	366.110218	178.5
[M+H-H2O]+	310.144320	167.2
[M+HCOO]-	372.145261	187.6
[M+CH3COO]-	386.160911	184.9
[M+Na-2H]-	348.121726	179.7
[M]+	327.14651142	175.6
[M]-	327.14760858	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe