PubChemLite - 5h-1,3-dioxolo[4,5-f]indole-6-carboxamide, n,n'-1,3-hexanediylbis- (C26H26N4O6)

Structural Information

Molecular Formula

SMILES

C1OC2=C(O1)C=C3C(=C2)C=C(N3)C(=O)NCCCCCCNC(=O)C4=CC5=CC6=C(C=C5N4)OCO6

InChI

InChI=1S/C26H26N4O6/c31-25(19-7-15-9-21-23(35-13-33-21)11-17(15)29-19)27-5-3-1-2-4-6-28-26(32)20-8-16-10-22-24(36-14-34-22)12-18(16)30-20/h7-12,29-30H,1-6,13-14H2,(H,27,31)(H,28,32)

InChIKey

VXCMQQZAXNLZDV-UHFFFAOYSA-N

Compound name

N-[6-(5H-[1,3]dioxolo[4,5-f]indole-6-carbonylamino)hexyl]-5H-[1,3]dioxolo[4,5-f]indole-6-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]+	491.19252	205.7
[M+Na]+	513.17446	211.0
[M-H]-	489.17796	215.2
[M+NH4]+	508.21906	213.8
[M+K]+	529.14840	210.7
[M+H-H2O]+	473.18250	202.6
[M+HCOO]-	535.18344	219.8
[M+CH3COO]-	549.19909	213.8
[M+Na-2H]-	511.15991	204.6
[M]+	490.18469	213.5
[M]-	490.18579	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.19252

205.7

[M+Na]+

513.17446

211.0

[M-H]-

489.17796

215.2

[M+NH4]+

508.21906

213.8

[M+K]+

529.14840

210.7

[M+H-H2O]+

473.18250

202.6

[M+HCOO]-

535.18344

219.8

[M+CH3COO]-

549.19909

213.8

[M+Na-2H]-

511.15991

204.6

[M]+

490.18469

213.5

[M]-

490.18579

213.5

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

5h-1,3-dioxolo[4,5-f]indole-6-carboxamide, n,n'-1,3-hexanediylbis-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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