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]+ 444.26454 211.1
[M+Na]+ 466.24648 213.6
[M-H]- 442.24998 221.0
[M+NH4]+ 461.29108 223.4
[M+K]+ 482.22042 207.8
[M+H-H2O]+ 426.25452 199.5
[M+HCOO]- 488.25546 225.9
[M+CH3COO]- 502.27111 218.0
[M+Na-2H]- 464.23193 206.5
[M]+ 443.25671 207.2
[M]- 443.25781 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.