CID 3057877

74246-97-2

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCN(C)CCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-3-21(2)13-6-7-14-22-18(23)15-20(19(22)24)12-8-10-16-9-4-5-11-17(16)20/h4-5,9,11H,3,6-8,10,12-15H2,1-2H3
InChIKey
XPQADAPRSLCNDM-UHFFFAOYSA-N
Compound name
1'-[4-[ethyl(methyl)amino]butyl]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

328.2151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 181.7
[M+Na]+ 351.20432 191.6
[M+NH4]+ 346.24892 190.8
[M+K]+ 367.17826 183.9
[M-H]- 327.20782 184.7
[M+Na-2H]- 349.18977 186.2
[M]+ 328.21455 183.9
[M]- 328.21565 183.9
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.