CID 37668

2,3-dihydro-3-ethyl-3-phenyl-1-(2-piperidinoethyl)-1h-indole oxalate

Structural Information

Molecular Formula
C23H30N2
SMILES
CCC1(CN(C2=CC=CC=C21)CCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N2/c1-2-23(20-11-5-3-6-12-20)19-25(22-14-8-7-13-21(22)23)18-17-24-15-9-4-10-16-24/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3
InChIKey
CIPQKKSYLUUORH-UHFFFAOYSA-N
Compound name
3-ethyl-3-phenyl-1-(2-piperidin-1-ylethyl)-2H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.248176 185.9
[M+Na]+ 357.230118 189.9
[M-H]- 333.233624 191.9
[M+NH4]+ 352.274723 200.7
[M+K]+ 373.204058 183.1
[M+H-H2O]+ 317.238160 174.3
[M+HCOO]- 379.239101 200.6
[M+CH3COO]- 393.254751 194.2
[M+Na-2H]- 355.215566 186.4
[M]+ 334.24035142 180.8
[M]- 334.24144858 180.8
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.