CID 205127

17502-74-8

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CCN(CC)CCCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)O
InChI
InChI=1S/C21H30N2O3/c1-3-22(4-2)12-5-6-13-23-19(25)15-21(20(23)26)11-7-8-16-9-10-17(24)14-18(16)21/h9-10,14,24H,3-8,11-13,15H2,1-2H3
InChIKey
CBSRTCJXRPWSEA-UHFFFAOYSA-N
Compound name
1'-[4-(diethylamino)butyl]-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

358.22565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 188.8
[M+Na]+ 381.21487 197.8
[M+NH4]+ 376.25947 196.7
[M+K]+ 397.18881 190.9
[M-H]- 357.21837 190.8
[M+Na-2H]- 379.20032 191.8
[M]+ 358.22510 190.4
[M]- 358.22620 190.4
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.