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]+ 345.21728 183.4
[M+Na]+ 367.19922 188.9
[M-H]- 343.20272 187.7
[M+NH4]+ 362.24382 200.4
[M+K]+ 383.17316 184.7
[M+H-H2O]+ 327.20726 175.8
[M+HCOO]- 389.20820 200.0
[M+CH3COO]- 403.22385 216.5
[M+Na-2H]- 365.18467 183.3
[M]+ 344.20945 183.0
[M]- 344.21055 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.