PubChemLite - Lisuride (C20H26N4O)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

InChI

InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1

InChIKey

BKRGVLQUQGGVSM-KBXCAEBGSA-N

Compound name

3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

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]+	339.21794	181.4
[M+Na]+	361.19988	192.5
[M+NH4]+	356.24448	189.5
[M+K]+	377.17382	187.0
[M-H]-	337.20338	184.1
[M+Na-2H]-	359.18533	183.7
[M]+	338.21011	183.5
[M]-	338.21121	183.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

339.21794

181.4

[M+Na]+

361.19988

192.5

[M+NH4]+

356.24448

189.5

[M+K]+

377.17382

187.0

[M-H]-

337.20338

184.1

[M+Na-2H]-

359.18533

183.7

[M]+

338.21011

183.5

[M]-

338.21121

183.5

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

Lisuride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe