PubChemLite - Corlumine (C21H21NO6)

Structural Information

Molecular Formula

SMILES

CN1CCC2=CC(=C(C=C2[C@H]1[C@H]3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC)OC

InChI

InChI=1S/C21H21NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19-12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1

InChIKey

SZDGAZFTAUFFQH-RBUKOAKNSA-N

Compound name

(6R)-6-[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

Related CIDs

2D Structure

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]+	384.14418	187.5
[M+Na]+	406.12612	200.8
[M+NH4]+	401.17072	195.1
[M+K]+	422.10006	199.3
[M-H]-	382.12962	194.8
[M+Na-2H]-	404.11157	187.7
[M]+	383.13635	191.5
[M]-	383.13745	191.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

384.14418

187.5

[M+Na]+

406.12612

200.8

[M+NH4]+

401.17072

195.1

[M+K]+

422.10006

199.3

[M-H]-

382.12962

194.8

[M+Na-2H]-

404.11157

187.7

[M]+

383.13635

191.5

[M]-

383.13745

191.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Corlumine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe