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]+	427.186356	203.1
[M+Na]+	449.168298	210.8
[M-H]-	425.171804	212.3
[M+NH4]+	444.212903	214.7
[M+K]+	465.142238	209.5
[M+H-H2O]+	409.176340	196.3
[M+HCOO]-	471.177281	220.4
[M+CH3COO]-	485.192931	233.1
[M+Na-2H]-	447.153746	201.2
[M]+	426.17853142	211.7
[M]-	426.17962858	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.186356

203.1

[M+Na]+

449.168298

210.8

[M-H]-

425.171804

212.3

[M+NH4]+

444.212903

214.7

[M+K]+

465.142238

209.5

[M+H-H2O]+

409.176340

196.3

[M+HCOO]-

471.177281

220.4

[M+CH3COO]-

485.192931

233.1

[M+Na-2H]-

447.153746

201.2

[M]+

426.17853142

211.7

[M]-

426.17962858

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

Patent stripe