PubChemLite - Dimethoxy-bis[(4-methoxyphenyl)methyl][?] (C29H29N2O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CN2C=CC3=CC(=C(C4=[N+](C=CC2=C34)CC5=CC=C(C=C5)OC)OC)OC

InChI

InChI=1S/C29H29N2O4/c1-32-23-9-5-20(6-10-23)18-30-15-13-22-17-26(34-3)29(35-4)28-27(22)25(30)14-16-31(28)19-21-7-11-24(33-2)12-8-21/h5-17H,18-19H2,1-4H3/q+1

InChIKey

VXWIMIABVQYSER-UHFFFAOYSA-N

Compound name

11,12-dimethoxy-2,6-bis[(4-methoxyphenyl)methyl]-6-aza-2-azoniatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaene

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]+	470.22002	226.5
[M+Na]+	492.20196	233.3
[M-H]-	468.20546	234.3
[M+NH4]+	487.24656	233.0
[M+K]+	508.17590	222.0
[M+H-H2O]+	452.21000	214.5
[M+HCOO]-	514.21094	241.2
[M+CH3COO]-	528.22659	234.3
[M+Na-2H]-	490.18741	230.7
[M]+	469.21219	232.5
[M]-	469.21329	232.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.22002

226.5

[M+Na]+

492.20196

233.3

[M-H]-

468.20546

234.3

[M+NH4]+

487.24656

233.0

[M+K]+

508.17590

222.0

[M+H-H2O]+

452.21000

214.5

[M+HCOO]-

514.21094

241.2

[M+CH3COO]-

528.22659

234.3

[M+Na-2H]-

490.18741

230.7

[M]+

469.21219

232.5

[M]-

469.21329

232.5

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

Dimethoxy-bis[(4-methoxyphenyl)methyl][?]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe