CID 3058838

75657-36-2

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CN(C)CCCCN1C(=O)CC2(C1=O)CCC3=CC=CC=C3C2
InChI
InChI=1S/C19H26N2O2/c1-20(2)11-5-6-12-21-17(22)14-19(18(21)23)10-9-15-7-3-4-8-16(15)13-19/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKey
YKWDCSHWGJCWJX-UHFFFAOYSA-N
Compound name
1'-[4-(dimethylamino)butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.3
[M+Na]+ 337.18865 182.0
[M-H]- 313.19215 181.9
[M+NH4]+ 332.23325 195.0
[M+K]+ 353.16259 178.1
[M+H-H2O]+ 297.19669 168.2
[M+HCOO]- 359.19763 194.6
[M+CH3COO]- 373.21328 212.5
[M+Na-2H]- 335.17410 177.4
[M]+ 314.19888 175.5
[M]- 314.19998 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.