CID 3057850

74246-78-9

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CN(C)CCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C18H24N2O2/c1-19(2)11-6-12-20-16(21)13-18(17(20)22)10-5-8-14-7-3-4-9-15(14)18/h3-4,7,9H,5-6,8,10-13H2,1-2H3
InChIKey
NWMLSQKFTFOQOM-UHFFFAOYSA-N
Compound name
1'-[3-(dimethylamino)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

300.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 171.8
[M+Na]+ 323.17300 177.9
[M-H]- 299.17650 177.6
[M+NH4]+ 318.21760 191.1
[M+K]+ 339.14694 174.3
[M+H-H2O]+ 283.18104 163.9
[M+HCOO]- 345.18198 190.5
[M+CH3COO]- 359.19763 209.6
[M+Na-2H]- 321.15845 173.4
[M]+ 300.18323 170.6
[M]- 300.18433 170.6
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.