CID 3059313

76311-56-3

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CCN(CC)C(C)CN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)O
InChI
InChI=1S/C20H28N2O3/c1-4-21(5-2)14(3)13-22-18(24)12-20(19(22)25)10-6-7-15-8-9-16(23)11-17(15)20/h8-9,11,14,23H,4-7,10,12-13H2,1-3H3
InChIKey
BRHMGFURGFEIBN-UHFFFAOYSA-N
Compound name
1'-[2-(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 188.6
[M-H]- 343.202724 187.8
[M+NH4]+ 362.243823 200.3
[M+K]+ 383.173158 185.1
[M+H-H2O]+ 327.207260 176.1
[M+HCOO]- 389.208201 199.0
[M+CH3COO]- 403.223851 217.4
[M+Na-2H]- 365.184666 182.2
[M]+ 344.20945142 182.4
[M]- 344.21054858 182.4
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.