CID 33625

Indoramin

Structural Information

Molecular Formula
C22H25N3O
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
InChIKey
JXZZEXZZKAWDSP-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

269
References

9328
Patents

347.19977 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 182.8
[M+Na]+ 370.18899 186.8
[M-H]- 346.19249 188.4
[M+NH4]+ 365.23359 194.1
[M+K]+ 386.16293 179.5
[M+H-H2O]+ 330.19703 172.1
[M+HCOO]- 392.19797 199.7
[M+CH3COO]- 406.21362 191.0
[M+Na-2H]- 368.17444 184.9
[M]+ 347.19922 178.0
[M]- 347.20032 178.0
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

No patent data available for this compound.