PubChemLite - 1h-indole-2-carboxamide, n,n'-(1,4-piperazinediyldi-3,1-propanediyl)bis[5,6-dihydroxy- (C28H34N6O6)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CCCNC(=O)C2=CC3=CC(=C(C=C3N2)O)O)CCCNC(=O)C4=CC5=CC(=C(C=C5N4)O)O

InChI

InChI=1S/C28H34N6O6/c35-23-13-17-11-21(31-19(17)15-25(23)37)27(39)29-3-1-5-33-7-9-34(10-8-33)6-2-4-30-28(40)22-12-18-14-24(36)26(38)16-20(18)32-22/h11-16,31-32,35-38H,1-10H2,(H,29,39)(H,30,40)

InChIKey

UVUGNXUWSJDYFN-UHFFFAOYSA-N

Compound name

N-[3-[4-[3-[(5,6-dihydroxy-1H-indole-2-carbonyl)amino]propyl]piperazin-1-yl]propyl]-5,6-dihydroxy-1H-indole-2-carboxamide

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]+	551.26125	221.8
[M+Na]+	573.24319	224.0
[M-H]-	549.24669	222.3
[M+NH4]+	568.28779	221.9
[M+K]+	589.21713	217.6
[M+H-H2O]+	533.25123	212.7
[M+HCOO]-	595.25217	229.4
[M+CH3COO]-	609.26782	224.6
[M+Na-2H]-	571.22864	219.0
[M]+	550.25342	220.0
[M]-	550.25452	220.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.26125

221.8

[M+Na]+

573.24319

224.0

[M-H]-

549.24669

222.3

[M+NH4]+

568.28779

221.9

[M+K]+

589.21713

217.6

[M+H-H2O]+

533.25123

212.7

[M+HCOO]-

595.25217

229.4

[M+CH3COO]-

609.26782

224.6

[M+Na-2H]-

571.22864

219.0

[M]+

550.25342

220.0

[M]-

550.25452

220.0

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

1h-indole-2-carboxamide, n,n'-(1,4-piperazinediyldi-3,1-propanediyl)bis[5,6-dihydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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