CID 3057875

Brn 1548350

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CN(C)CCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C19H26N2O2/c1-20(2)12-5-6-13-21-17(22)14-19(18(21)23)11-7-9-15-8-3-4-10-16(15)19/h3-4,8,10H,5-7,9,11-14H2,1-2H3
InChIKey
LYVWFWOKUUHFJT-UHFFFAOYSA-N
Compound name
1'-[4-(dimethylamino)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

314.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 176.3
[M+Na]+ 337.188648 182.0
[M-H]- 313.192154 181.9
[M+NH4]+ 332.233253 195.0
[M+K]+ 353.162588 178.1
[M+H-H2O]+ 297.196690 168.2
[M+HCOO]- 359.197631 194.6
[M+CH3COO]- 373.213281 212.5
[M+Na-2H]- 335.174096 177.4
[M]+ 314.19888142 175.5
[M]- 314.19997858 175.5
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.