CID 3057855

74246-81-4

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCCN(C)CCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-3-12-21(2)13-7-14-22-18(23)15-20(19(22)24)11-6-9-16-8-4-5-10-17(16)20/h4-5,8,10H,3,6-7,9,11-15H2,1-2H3
InChIKey
RXEHBLITYABJTL-UHFFFAOYSA-N
Compound name
1'-[3-[methyl(propyl)amino]propyl]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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.222376 180.8
[M+Na]+ 351.204318 186.0
[M-H]- 327.207824 186.2
[M+NH4]+ 346.248923 198.9
[M+K]+ 367.178258 181.9
[M+H-H2O]+ 311.212360 172.5
[M+HCOO]- 373.213301 198.8
[M+CH3COO]- 387.228951 215.5
[M+Na-2H]- 349.189766 181.4
[M]+ 328.21455142 180.3
[M]- 328.21564858 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.