CID 3057859

74246-83-6

Structural Information

Molecular Formula
C21H28N2O2
SMILES
C1CCN(CC1)CCCN2C(=O)CC3(C2=O)CCCC4=CC=CC=C34
InChI
InChI=1S/C21H28N2O2/c24-19-16-21(11-6-9-17-8-2-3-10-18(17)21)20(25)23(19)15-7-14-22-12-4-1-5-13-22/h2-3,8,10H,1,4-7,9,11-16H2
InChIKey
WRZLBYQKGLURCT-UHFFFAOYSA-N
Compound name
1'-(3-piperidin-1-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 186.1
[M+Na]+ 363.20432 189.8
[M-H]- 339.20782 190.9
[M+NH4]+ 358.24892 201.0
[M+K]+ 379.17826 183.9
[M+H-H2O]+ 323.21236 175.4
[M+HCOO]- 385.21330 197.7
[M+CH3COO]- 399.22895 193.8
[M+Na-2H]- 361.18977 184.7
[M]+ 340.21455 178.7
[M]- 340.21565 178.7
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.