PubChemLite - Piperazine, 1,4-bis(5h-1,3-dioxolo[4,5-f]indol-6-ylcarbonyl)- (C24H20N4O6)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C(=O)C2=CC3=CC4=C(C=C3N2)OCO4)C(=O)C5=CC6=CC7=C(C=C6N5)OCO7

InChI

InChI=1S/C24H20N4O6/c29-23(17-5-13-7-19-21(33-11-31-19)9-15(13)25-17)27-1-2-28(4-3-27)24(30)18-6-14-8-20-22(34-12-32-20)10-16(14)26-18/h5-10,25-26H,1-4,11-12H2

InChIKey

ZTGJHVVRPUKLEJ-UHFFFAOYSA-N

Compound name

[4-(5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl)piperazin-1-yl]-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)methanone

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]+	461.14556	193.3
[M+Na]+	483.12750	200.6
[M-H]-	459.13100	203.7
[M+NH4]+	478.17210	200.1
[M+K]+	499.10144	200.3
[M+H-H2O]+	443.13554	189.4
[M+HCOO]-	505.13648	200.8
[M+CH3COO]-	519.15213	201.7
[M+Na-2H]-	481.11295	187.2
[M]+	460.13773	196.6
[M]-	460.13883	196.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.14556

193.3

[M+Na]+

483.12750

200.6

[M-H]-

459.13100

203.7

[M+NH4]+

478.17210

200.1

[M+K]+

499.10144

200.3

[M+H-H2O]+

443.13554

189.4

[M+HCOO]-

505.13648

200.8

[M+CH3COO]-

519.15213

201.7

[M+Na-2H]-

481.11295

187.2

[M]+

460.13773

196.6

[M]-

460.13883

196.6

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

Piperazine, 1,4-bis(5h-1,3-dioxolo[4,5-f]indol-6-ylcarbonyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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