CID 16072602

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

Structural Information

Molecular Formula
C18H14N2O5
SMILES
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C18H14N2O5/c21-18(19-7-10-1-2-14-15(3-10)23-8-22-14)13-4-11-5-16-17(25-9-24-16)6-12(11)20-13/h1-6,20H,7-9H2,(H,19,21)
InChIKey
AWGPZMZIZRLABR-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-5H-[1,3]dioxolo[4,5-f]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.09027 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 170.5
[M+Na]+ 361.07949 179.3
[M-H]- 337.08299 181.1
[M+NH4]+ 356.12409 184.5
[M+K]+ 377.05343 179.4
[M+H-H2O]+ 321.08753 167.0
[M+HCOO]- 383.08847 188.1
[M+CH3COO]- 397.10412 182.7
[M+Na-2H]- 359.06494 174.3
[M]+ 338.08972 176.1
[M]- 338.09082 176.1
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.