CID 3057860

Brn 1164458

Structural Information

Molecular Formula
C20H26N2O3
SMILES
C1CC2=CC=CC=C2C3(C1)CC(=O)N(C3=O)CCCN4CCOCC4
InChI
InChI=1S/C20H26N2O3/c23-18-15-20(8-3-6-16-5-1-2-7-17(16)20)19(24)22(18)10-4-9-21-11-13-25-14-12-21/h1-2,5,7H,3-4,6,8-15H2
InChIKey
XZEDAAVMIJLNJI-UHFFFAOYSA-N
Compound name
1'-(3-morpholin-4-ylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.19434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.201616 183.8
[M+Na]+ 365.183558 188.0
[M-H]- 341.187064 189.5
[M+NH4]+ 360.228163 197.3
[M+K]+ 381.157498 184.0
[M+H-H2O]+ 325.191600 173.5
[M+HCOO]- 387.192541 195.1
[M+CH3COO]- 401.208191 192.0
[M+Na-2H]- 363.169006 183.7
[M]+ 342.19379142 178.3
[M]- 342.19488858 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.