PubChemLite - 5h-1,3-dioxolo[4,5-f]indole-6-carboxamide, n,n'-1,3-propanediylbis- (C23H20N4O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H20N4O6/c28-22(16-4-12-6-18-20(32-10-30-18)8-14(12)26-16)24-2-1-3-25-23(29)17-5-13-7-19-21(33-11-31-19)9-15(13)27-17/h4-9,26-27H,1-3,10-11H2,(H,24,28)(H,25,29)

InChIKey

UHKQXRUNAJVWRR-UHFFFAOYSA-N

Compound name

N-[3-(5H-[1,3]dioxolo[4,5-f]indole-6-carbonylamino)propyl]-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]+	449.14556	192.8
[M+Na]+	471.12750	199.6
[M-H]-	447.13100	202.9
[M+NH4]+	466.17210	202.6
[M+K]+	487.10144	199.7
[M+H-H2O]+	431.13554	190.2
[M+HCOO]-	493.13648	208.0
[M+CH3COO]-	507.15213	202.3
[M+Na-2H]-	469.11295	193.2
[M]+	448.13773	199.9
[M]-	448.13883	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.14556

192.8

[M+Na]+

471.12750

199.6

[M-H]-

447.13100

202.9

[M+NH4]+

466.17210

202.6

[M+K]+

487.10144

199.7

[M+H-H2O]+

431.13554

190.2

[M+HCOO]-

493.13648

208.0

[M+CH3COO]-

507.15213

202.3

[M+Na-2H]-

469.11295

193.2

[M]+

448.13773

199.9

[M]-

448.13883

199.9

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-propanediylbis-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe