CID 16072603

5h-1,3-dioxolo[4,5-f]indole-6-carboxamide, n-[(3,4-dimethoxy)phenylethyl]-

Structural Information

Molecular Formula
C20H20N2O5
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=CC4=C(C=C3N2)OCO4)OC
InChI
InChI=1S/C20H20N2O5/c1-24-16-4-3-12(7-17(16)25-2)5-6-21-20(23)15-8-13-9-18-19(27-11-26-18)10-14(13)22-15/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,21,23)
InChIKey
ZQSIRUHEAROQRZ-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 184.3
[M+Na]+ 391.12642 192.4
[M-H]- 367.12992 192.5
[M+NH4]+ 386.17102 197.3
[M+K]+ 407.10036 190.5
[M+H-H2O]+ 351.13446 177.4
[M+HCOO]- 413.13540 204.0
[M+CH3COO]- 427.15105 195.3
[M+Na-2H]- 389.11187 187.1
[M]+ 368.13665 191.1
[M]- 368.13775 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.