CID 213632

Brn 0500546

Structural Information

Molecular Formula
C23H25N3O3
SMILES
C1CN(CCC1NC(=O)C2=CC3=C(C=C2)OCO3)CCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H25N3O3/c27-23(16-5-6-21-22(13-16)29-15-28-21)25-18-8-11-26(12-9-18)10-7-17-14-24-20-4-2-1-3-19(17)20/h1-6,13-14,18,24H,7-12,15H2,(H,25,27)
InChIKey
BJHUKNULFNAXHV-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

391.1896 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 193.9
[M+Na]+ 414.17882 205.9
[M+NH4]+ 409.22342 201.1
[M+K]+ 430.15276 202.9
[M-H]- 390.18232 201.4
[M+Na-2H]- 412.16427 198.1
[M]+ 391.18905 197.6
[M]- 391.19015 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe