PubChemLite - Go 6983 (C26H26N4O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN1C=C(C2=C1C=CC(=C2)OC)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H26N4O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32)

InChIKey

LLJJDLHGZUOMQP-UHFFFAOYSA-N

Compound name

3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

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]+	443.20778	207.1
[M+Na]+	465.18972	216.6
[M-H]-	441.19322	216.4
[M+NH4]+	460.23432	219.0
[M+K]+	481.16366	209.9
[M+H-H2O]+	425.19776	198.5
[M+HCOO]-	487.19870	227.2
[M+CH3COO]-	501.21435	216.7
[M+Na-2H]-	463.17517	203.4
[M]+	442.19995	213.3
[M]-	442.20105	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.20778

207.1

[M+Na]+

465.18972

216.6

[M-H]-

441.19322

216.4

[M+NH4]+

460.23432

219.0

[M+K]+

481.16366

209.9

[M+H-H2O]+

425.19776

198.5

[M+HCOO]-

487.19870

227.2

[M+CH3COO]-

501.21435

216.7

[M+Na-2H]-

463.17517

203.4

[M]+

442.19995

213.3

[M]-

442.20105

213.3

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

Go 6983

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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