CID 3057879

74246-99-4

Structural Information

Molecular Formula
C21H28N2O2
SMILES
C1CCN(C1)CCCCN2C(=O)CC3(C2=O)CCCC4=CC=CC=C34
InChI
InChI=1S/C21H28N2O2/c24-19-16-21(11-7-9-17-8-1-2-10-18(17)21)20(25)23(19)15-6-5-14-22-12-3-4-13-22/h1-2,8,10H,3-7,9,11-16H2
InChIKey
DGDAXKXKZWEGDI-UHFFFAOYSA-N
Compound name
1'-(4-pyrrolidin-1-ylbutyl)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 186.3
[M+Na]+ 363.204318 190.9
[M-H]- 339.207824 191.9
[M+NH4]+ 358.248923 203.3
[M+K]+ 379.178258 185.2
[M+H-H2O]+ 323.212360 176.9
[M+HCOO]- 385.213301 200.4
[M+CH3COO]- 399.228951 194.9
[M+Na-2H]- 361.189766 183.2
[M]+ 340.21455142 181.4
[M]- 340.21564858 181.4
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.