CID 59713

Indole, 1-phenyl-3-(4-piperidinobutyl)-

Structural Information

Molecular Formula
C23H28N2
SMILES
C1CCN(CC1)CCCCC2=CN(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2/c1-3-12-21(13-4-1)25-19-20(22-14-5-6-15-23(22)25)11-7-10-18-24-16-8-2-9-17-24/h1,3-6,12-15,19H,2,7-11,16-18H2
InChIKey
APUDYJCRZQKKQY-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4-piperidin-1-ylbutyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 183.1
[M+Na]+ 355.21447 188.0
[M-H]- 331.21797 189.5
[M+NH4]+ 350.25907 196.1
[M+K]+ 371.18841 180.6
[M+H-H2O]+ 315.22251 171.7
[M+HCOO]- 377.22345 200.5
[M+CH3COO]- 391.23910 192.0
[M+Na-2H]- 353.19992 184.8
[M]+ 332.22470 180.6
[M]- 332.22580 180.6
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

No patent data available for this compound.