PubChemLite - 5h-1,3-dioxolo[4,5-f]indole-6-carboxamide, n,n'-1,3-butanediylbis- (C24H22N4O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H22N4O6/c29-23(17-5-13-7-19-21(33-11-31-19)9-15(13)27-17)25-3-1-2-4-26-24(30)18-6-14-8-20-22(34-12-32-20)10-16(14)28-18/h5-10,27-28H,1-4,11-12H2,(H,25,29)(H,26,30)

InChIKey

ZYHMGCMXGDPZJL-UHFFFAOYSA-N

Compound name

N-[4-(5H-[1,3]dioxolo[4,5-f]indole-6-carbonylamino)butyl]-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]+	463.16121	197.2
[M+Na]+	485.14315	203.4
[M-H]-	461.14665	207.0
[M+NH4]+	480.18775	206.4
[M+K]+	501.11709	203.4
[M+H-H2O]+	445.15119	194.4
[M+HCOO]-	507.15213	212.0
[M+CH3COO]-	521.16778	206.2
[M+Na-2H]-	483.12860	197.0
[M]+	462.15338	204.5
[M]-	462.15448	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.16121

197.2

[M+Na]+

485.14315

203.4

[M-H]-

461.14665

207.0

[M+NH4]+

480.18775

206.4

[M+K]+

501.11709

203.4

[M+H-H2O]+

445.15119

194.4

[M+HCOO]-

507.15213

212.0

[M+CH3COO]-

521.16778

206.2

[M+Na-2H]-

483.12860

197.0

[M]+

462.15338

204.5

[M]-

462.15448

204.5

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-butanediylbis-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe