CID 3057896

74247-08-8

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CN(C)CCCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-21(2)13-6-3-7-14-22-18(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
BRUBWFDUNFQAKX-UHFFFAOYSA-N
Compound name
1'-[5-(dimethylamino)pentyl]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 180.8
[M+Na]+ 351.20432 186.0
[M-H]- 327.20782 186.2
[M+NH4]+ 346.24892 198.9
[M+K]+ 367.17826 181.9
[M+H-H2O]+ 311.21236 172.5
[M+HCOO]- 373.21330 198.8
[M+CH3COO]- 387.22895 215.5
[M+Na-2H]- 349.18977 181.4
[M]+ 328.21455 180.3
[M]- 328.21565 180.3
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.