PubChemLite - (+)-glaucine (C21H25NO4)

Structural Information

Molecular Formula

SMILES

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC

InChI

InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1

InChIKey

RUZIUYOSRDWYQF-HNNXBMFYSA-N

Compound name

(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

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]+	356.18562	186.4
[M+Na]+	378.16756	194.8
[M-H]-	354.17106	190.4
[M+NH4]+	373.21216	201.8
[M+K]+	394.14150	191.3
[M+H-H2O]+	338.17560	177.0
[M+HCOO]-	400.17654	200.6
[M+CH3COO]-	414.19219	221.8
[M+Na-2H]-	376.15301	189.8
[M]+	355.17779	192.7
[M]-	355.17889	192.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

356.18562

186.4

[M+Na]+

378.16756

194.8

[M-H]-

354.17106

190.4

[M+NH4]+

373.21216

201.8

[M+K]+

394.14150

191.3

[M+H-H2O]+

338.17560

177.0

[M+HCOO]-

400.17654

200.6

[M+CH3COO]-

414.19219

221.8

[M+Na-2H]-

376.15301

189.8

[M]+

355.17779

192.7

[M]-

355.17889

192.7

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

(+)-glaucine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe