CID 37676

2,3-dihydro-3-ethyl-3-phenyl-1-(3-piperidinopropyl)-1h-indole dihydrochloride

Structural Information

Molecular Formula
C24H32N2
SMILES
CCC1(CN(C2=CC=CC=C21)CCCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2/c1-2-24(21-12-5-3-6-13-21)20-26(23-15-8-7-14-22(23)24)19-11-18-25-16-9-4-10-17-25/h3,5-8,12-15H,2,4,9-11,16-20H2,1H3
InChIKey
KFBGKSJPTVJKMV-UHFFFAOYSA-N
Compound name
3-ethyl-3-phenyl-1-(3-piperidin-1-ylpropyl)-2H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.25656 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.26384 190.2
[M+Na]+ 371.24578 193.7
[M-H]- 347.24928 196.0
[M+NH4]+ 366.29038 204.4
[M+K]+ 387.21972 186.7
[M+H-H2O]+ 331.25382 178.4
[M+HCOO]- 393.25476 204.5
[M+CH3COO]- 407.27041 198.1
[M+Na-2H]- 369.23123 190.2
[M]+ 348.25601 185.5
[M]- 348.25711 185.5
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.