Majoridine (C23H28N2O3)

Structural Information

Molecular Formula

SMILES

C/C=C/1\CN2C3CC1C4C2CC5(C3N(C6=C5C=C(C=C6)OC)C)C4OC(=O)C

InChI

InChI=1S/C23H28N2O3/c1-5-13-11-25-18-9-15(13)20-19(25)10-23(22(20)28-12(2)26)16-8-14(27-4)6-7-17(16)24(3)21(18)23/h5-8,15,18-22H,9-11H2,1-4H3/b13-5+

InChIKey

SGXOBVVNZTTYAF-WLRTZDKTSA-N

Compound name

[(13Z)-13-ethylidene-4-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-yl] acetate

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]+	381.217276	186.5
[M+Na]+	403.199218	190.2
[M-H]-	379.202724	184.4
[M+NH4]+	398.243823	207.6
[M+K]+	419.173158	184.3
[M+H-H2O]+	363.207260	177.3
[M+HCOO]-	425.208201	188.1
[M+CH3COO]-	439.223851	192.8
[M+Na-2H]-	401.184666	186.3
[M]+	380.20945142	189.9
[M]-	380.21054858	189.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.217276

186.5

[M+Na]+

403.199218

190.2

[M-H]-

379.202724

184.4

[M+NH4]+

398.243823

207.6

[M+K]+

419.173158

184.3

[M+H-H2O]+

363.207260

177.3

[M+HCOO]-

425.208201

188.1

[M+CH3COO]-

439.223851

192.8

[M+Na-2H]-

401.184666

186.3

[M]+

380.20945142

189.9

[M]-

380.21054858

189.9

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

Majoridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe