PubChemLite - Memogain (C24H25NO4)

Structural Information

Molecular Formula

SMILES

CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1

InChIKey

JKVNJTYHRABHIY-WXVUKLJWSA-N

Compound name

[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] benzoate

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]+	392.18562	195.7
[M+Na]+	414.16756	201.2
[M-H]-	390.17106	204.8
[M+NH4]+	409.21216	209.8
[M+K]+	430.14150	200.4
[M+H-H2O]+	374.17560	187.6
[M+HCOO]-	436.17654	208.5
[M+CH3COO]-	450.19219	204.5
[M+Na-2H]-	412.15301	197.2
[M]+	391.17779	195.1
[M]-	391.17889	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.18562

195.7

[M+Na]+

414.16756

201.2

[M-H]-

390.17106

204.8

[M+NH4]+

409.21216

209.8

[M+K]+

430.14150

200.4

[M+H-H2O]+

374.17560

187.6

[M+HCOO]-

436.17654

208.5

[M+CH3COO]-

450.19219

204.5

[M+Na-2H]-

412.15301

197.2

[M]+

391.17779

195.1

[M]-

391.17889

195.1

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

Memogain

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe