CID 16072601

N-phenethyl-5h-[1,3]dioxolo[4,5-f]indole-6-carboxamide

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1OC2=C(O1)C=C3C(=C2)C=C(N3)C(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C18H16N2O3/c21-18(19-7-6-12-4-2-1-3-5-12)15-8-13-9-16-17(23-11-22-16)10-14(13)20-15/h1-5,8-10,20H,6-7,11H2,(H,19,21)
InChIKey
VAOQJEFZCXAUTM-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-5H-[1,3]dioxolo[4,5-f]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 168.3
[M+Na]+ 331.10532 176.2
[M-H]- 307.10882 176.1
[M+NH4]+ 326.14992 183.5
[M+K]+ 347.07926 173.2
[M+H-H2O]+ 291.11336 161.6
[M+HCOO]- 353.11430 188.6
[M+CH3COO]- 367.12995 180.0
[M+Na-2H]- 329.09077 173.3
[M]+ 308.11555 171.0
[M]- 308.11665 171.0
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.