CID 37634

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

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]+ 321.232526 181.5
[M+Na]+ 343.214468 186.0
[M-H]- 319.217974 187.8
[M+NH4]+ 338.259073 196.9
[M+K]+ 359.188408 179.4
[M+H-H2O]+ 303.222510 170.2
[M+HCOO]- 365.223451 196.6
[M+CH3COO]- 379.239101 190.3
[M+Na-2H]- 341.199916 182.6
[M]+ 320.22470142 176.2
[M]- 320.22579858 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.