CID 215400

Brn 0444819

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=C3C=C(C=C4)O
InChI
InChI=1S/C22H25N3O2/c26-19-6-7-21-20(14-19)17(15-23-21)8-11-25-12-9-18(10-13-25)24-22(27)16-4-2-1-3-5-16/h1-7,14-15,18,23,26H,8-13H2,(H,24,27)
InChIKey
WOCHTTKORIVJPG-UHFFFAOYSA-N
Compound name
N-[1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 186.0
[M+Na]+ 386.18389 190.3
[M-H]- 362.18739 190.8
[M+NH4]+ 381.22849 196.2
[M+K]+ 402.15783 183.0
[M+H-H2O]+ 346.19193 175.8
[M+HCOO]- 408.19287 201.6
[M+CH3COO]- 422.20852 193.8
[M+Na-2H]- 384.16934 187.2
[M]+ 363.19412 181.3
[M]- 363.19522 181.3
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.