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]+ 341.222376 186.1
[M+Na]+ 363.204318 189.8
[M-H]- 339.207824 190.9
[M+NH4]+ 358.248923 201.0
[M+K]+ 379.178258 183.9
[M+H-H2O]+ 323.212360 175.4
[M+HCOO]- 385.213301 197.7
[M+CH3COO]- 399.228951 193.8
[M+Na-2H]- 361.189766 184.7
[M]+ 340.21455142 178.7
[M]- 340.21564858 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.