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]+ 341.22238 186.3
[M+Na]+ 363.20432 190.9
[M-H]- 339.20782 191.9
[M+NH4]+ 358.24892 203.3
[M+K]+ 379.17826 185.2
[M+H-H2O]+ 323.21236 176.9
[M+HCOO]- 385.21330 200.4
[M+CH3COO]- 399.22895 194.9
[M+Na-2H]- 361.18977 183.2
[M]+ 340.21455 181.4
[M]- 340.21565 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.