CID 206628

28309-58-2

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCN(CC)CCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C21H30N2O2/c1-3-22(4-2)14-7-8-15-23-19(24)16-21(20(23)25)13-9-11-17-10-5-6-12-18(17)21/h5-6,10,12H,3-4,7-9,11,13-16H2,1-2H3
InChIKey
HXJLUZFQBQXDAD-UHFFFAOYSA-N
Compound name
1'-[4-(diethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 185.3
[M+Na]+ 365.219958 190.1
[M-H]- 341.223464 190.4
[M+NH4]+ 360.264563 202.8
[M+K]+ 381.193898 185.7
[M+H-H2O]+ 325.228000 176.8
[M+HCOO]- 387.228941 202.9
[M+CH3COO]- 401.244591 218.5
[M+Na-2H]- 363.205406 185.4
[M]+ 342.23019142 185.1
[M]- 342.23128858 185.1
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.