CID 3059347

76339-96-3

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CCN(CC)CCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)O
InChI
InChI=1S/C20H28N2O3/c1-3-21(4-2)11-6-12-22-18(24)14-20(19(22)25)10-5-7-15-8-9-16(23)13-17(15)20/h8-9,13,23H,3-7,10-12,14H2,1-2H3
InChIKey
KNONRARFHQFNDP-UHFFFAOYSA-N
Compound name
1'-[3-(diethylamino)propyl]-6-hydroxyspiro[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

344.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.217276 183.4
[M+Na]+ 367.199218 188.9
[M-H]- 343.202724 187.7
[M+NH4]+ 362.243823 200.4
[M+K]+ 383.173158 184.7
[M+H-H2O]+ 327.207260 175.8
[M+HCOO]- 389.208201 200.0
[M+CH3COO]- 403.223851 216.5
[M+Na-2H]- 365.184666 183.3
[M]+ 344.20945142 183.0
[M]- 344.21054858 183.0
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.