CID 3057873

Brn 1546742

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CNCCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C18H24N2O2/c1-19-11-4-5-12-20-16(21)13-18(17(20)22)10-6-8-14-7-2-3-9-15(14)18/h2-3,7,9,19H,4-6,8,10-13H2,1H3
InChIKey
KOBWZCWPXDLMKP-UHFFFAOYSA-N
Compound name
1'-[4-(methylamino)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

300.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 171.6
[M+Na]+ 323.17300 177.7
[M-H]- 299.17650 176.0
[M+NH4]+ 318.21760 190.3
[M+K]+ 339.14694 172.7
[M+H-H2O]+ 283.18104 163.8
[M+HCOO]- 345.18198 189.9
[M+CH3COO]- 359.19763 206.2
[M+Na-2H]- 321.15845 174.1
[M]+ 300.18323 169.3
[M]- 300.18433 169.3
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.