PubChemLite - 1h-indole-2-carboxamide, n,n'-1,4-hexanediylbis[5,6-dihydroxy- (C24H26N4O6)

Structural Information

Molecular Formula

SMILES

C1=C2C=C(NC2=CC(=C1O)O)C(=O)NCCCCCCNC(=O)C3=CC4=CC(=C(C=C4N3)O)O

InChI

InChI=1S/C24H26N4O6/c29-19-9-13-7-17(27-15(13)11-21(19)31)23(33)25-5-3-1-2-4-6-26-24(34)18-8-14-10-20(30)22(32)12-16(14)28-18/h7-12,27-32H,1-6H2,(H,25,33)(H,26,34)

InChIKey

QFZXKOQURLEHFP-UHFFFAOYSA-N

Compound name

N-[6-[(5,6-dihydroxy-1H-indole-2-carbonyl)amino]hexyl]-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]+	467.19252	205.0
[M+Na]+	489.17446	210.3
[M-H]-	465.17796	205.4
[M+NH4]+	484.21906	211.7
[M+K]+	505.14840	204.2
[M+H-H2O]+	449.18250	197.7
[M+HCOO]-	511.18344	219.5
[M+CH3COO]-	525.19909	229.6
[M+Na-2H]-	487.15991	204.5
[M]+	466.18469	206.8
[M]-	466.18579	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.19252

205.0

[M+Na]+

489.17446

210.3

[M-H]-

465.17796

205.4

[M+NH4]+

484.21906

211.7

[M+K]+

505.14840

204.2

[M+H-H2O]+

449.18250

197.7

[M+HCOO]-

511.18344

219.5

[M+CH3COO]-

525.19909

229.6

[M+Na-2H]-

487.15991

204.5

[M]+

466.18469

206.8

[M]-

466.18579

206.8

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-hexanediylbis[5,6-dihydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe