CID 37634

2,3-dihydro-3-methyl-3-phenyl-1-(2-piperidinoethyl)-1h-indole fumarate

Structural Information

Molecular Formula
C22H28N2
SMILES
CC1(CN(C2=CC=CC=C21)CCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2/c1-22(19-10-4-2-5-11-19)18-24(21-13-7-6-12-20(21)22)17-16-23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-18H2,1H3
InChIKey
CEQWISCOBLSXQQ-UHFFFAOYSA-N
Compound name
3-methyl-3-phenyl-1-(2-piperidin-1-ylethyl)-2H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23253 181.5
[M+Na]+ 343.21447 186.0
[M-H]- 319.21797 187.8
[M+NH4]+ 338.25907 196.9
[M+K]+ 359.18841 179.4
[M+H-H2O]+ 303.22251 170.2
[M+HCOO]- 365.22345 196.6
[M+CH3COO]- 379.23910 190.3
[M+Na-2H]- 341.19992 182.6
[M]+ 320.22470 176.2
[M]- 320.22580 176.2
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.