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]+ 345.21728 183.4
[M+Na]+ 367.19922 188.6
[M-H]- 343.20272 187.8
[M+NH4]+ 362.24382 200.3
[M+K]+ 383.17316 185.1
[M+H-H2O]+ 327.20726 176.1
[M+HCOO]- 389.20820 199.0
[M+CH3COO]- 403.22385 217.4
[M+Na-2H]- 365.18467 182.2
[M]+ 344.20945 182.4
[M]- 344.21055 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.