PubChemLite - (-)-6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-5h-dibenz(d,f)azonin-1-ol hydrochloride (C26H28FNO3)

Structural Information

Molecular Formula

SMILES

CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CC4=CC=C(C=C4)F)C=CC(=C3O)OC

InChI

InChI=1S/C26H28FNO3/c1-28-13-12-18-6-10-22(30-2)16-23(18)25-19(7-11-24(31-3)26(25)29)15-21(28)14-17-4-8-20(27)9-5-17/h4-11,16,21,29H,12-15H2,1-3H3

InChIKey

LJNIUCBMBSOCQJ-UHFFFAOYSA-N

Compound name

9-[(4-fluorophenyl)methyl]-4,16-dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol

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]+	422.21260	208.9
[M+Na]+	444.19454	204.2
[M-H]-	420.19804	206.1
[M+NH4]+	439.23914	206.3
[M+K]+	460.16848	204.6
[M+H-H2O]+	404.20258	197.4
[M+HCOO]-	466.20352	206.7
[M+CH3COO]-	480.21917	207.0
[M+Na-2H]-	442.17999	207.4
[M]+	421.20477	206.3
[M]-	421.20587	206.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.21260

208.9

[M+Na]+

444.19454

204.2

[M-H]-

420.19804

206.1

[M+NH4]+

439.23914

206.3

[M+K]+

460.16848

204.6

[M+H-H2O]+

404.20258

197.4

[M+HCOO]-

466.20352

206.7

[M+CH3COO]-

480.21917

207.0

[M+Na-2H]-

442.17999

207.4

[M]+

421.20477

206.3

[M]-

421.20587

206.3

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

(-)-6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-5h-dibenz(d,f)azonin-1-ol hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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