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 190.0
[M+Na]+ 414.17882 194.7
[M-H]- 390.18232 198.4
[M+NH4]+ 409.22342 199.7
[M+K]+ 430.15276 190.6
[M+H-H2O]+ 374.18686 181.0
[M+HCOO]- 436.18780 204.1
[M+CH3COO]- 450.20345 198.4
[M+Na-2H]- 412.16427 190.4
[M]+ 391.18905 188.4
[M]- 391.19015 188.4
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