PubChemLite - 3-[1-[3-(dimethylamino)propyl]indolin-3-yl]-4-indolin-3-yl-pyrrole-2,5-dione (C25H28N4O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN1CC(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4CNC5=CC=CC=C45

InChI

InChI=1S/C25H28N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,18-19,26H,7,12-15H2,1-2H3,(H,27,30,31)

InChIKey

QPTVPXGEQHIEJD-UHFFFAOYSA-N

Compound name

3-(2,3-dihydro-1H-indol-3-yl)-4-[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-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]+	417.22850	202.2
[M+Na]+	439.21044	207.9
[M-H]-	415.21394	209.4
[M+NH4]+	434.25504	214.7
[M+K]+	455.18438	201.1
[M+H-H2O]+	399.21848	193.4
[M+HCOO]-	461.21942	217.0
[M+CH3COO]-	475.23507	210.1
[M+Na-2H]-	437.19589	195.8
[M]+	416.22067	200.8
[M]-	416.22177	200.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.22850

202.2

[M+Na]+

439.21044

207.9

[M-H]-

415.21394

209.4

[M+NH4]+

434.25504

214.7

[M+K]+

455.18438

201.1

[M+H-H2O]+

399.21848

193.4

[M+HCOO]-

461.21942

217.0

[M+CH3COO]-

475.23507

210.1

[M+Na-2H]-

437.19589

195.8

[M]+

416.22067

200.8

[M]-

416.22177

200.8

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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