CID 514969

1-methyl-5-oxo-n-phenyl-n-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C28H33N3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC3(CC2)C=CC4=CC=CC=C34)C5=CC=CC=C5
InChI
InChI=1S/C28H33N3O2/c1-29-21-23(20-26(29)32)27(33)31(24-9-3-2-4-10-24)17-7-16-30-18-14-28(15-19-30)13-12-22-8-5-6-11-25(22)28/h2-6,8-13,23H,7,14-21H2,1H3
InChIKey
GXIOUZSOMPVSQL-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-N-phenyl-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.25726 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.264536 211.1
[M+Na]+ 466.246478 213.6
[M-H]- 442.249984 221.0
[M+NH4]+ 461.291083 223.4
[M+K]+ 482.220418 207.8
[M+H-H2O]+ 426.254520 199.5
[M+HCOO]- 488.255461 225.9
[M+CH3COO]- 502.271111 218.0
[M+Na-2H]- 464.231926 206.5
[M]+ 443.25671142 207.2
[M]- 443.25780858 207.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.