PubChemLite - Narceine imide (C23H26N2O6)

Structural Information

Molecular Formula

SMILES

CN(C)CCC1=CC2=C(C(=C1/C=C\3/C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OC)OCO2

InChI

InChI=1S/C23H26N2O6/c1-25(2)9-8-13-10-18-22(31-12-30-18)20(28-4)15(13)11-16-14-6-7-17(27-3)21(29-5)19(14)23(26)24-16/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)/b16-11-

InChIKey

FNVOXTXQQPJYRS-WJDWOHSUSA-N

Compound name

(3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one

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]+	427.18636	203.1
[M+Na]+	449.16830	210.8
[M-H]-	425.17180	212.3
[M+NH4]+	444.21290	214.7
[M+K]+	465.14224	209.5
[M+H-H2O]+	409.17634	196.3
[M+HCOO]-	471.17728	220.4
[M+CH3COO]-	485.19293	233.1
[M+Na-2H]-	447.15375	201.2
[M]+	426.17853	211.7
[M]-	426.17963	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.18636

203.1

[M+Na]+

449.16830

210.8

[M-H]-

425.17180

212.3

[M+NH4]+

444.21290

214.7

[M+K]+

465.14224

209.5

[M+H-H2O]+

409.17634

196.3

[M+HCOO]-

471.17728

220.4

[M+CH3COO]-

485.19293

233.1

[M+Na-2H]-

447.15375

201.2

[M]+

426.17853

211.7

[M]-

426.17963

211.7

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

Narceine imide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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