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 187.8
[M+Na]+ 381.21487 192.9
[M-H]- 357.21837 192.0
[M+NH4]+ 376.25947 204.2
[M+K]+ 397.18881 188.5
[M+H-H2O]+ 341.22291 180.0
[M+HCOO]- 403.22385 204.1
[M+CH3COO]- 417.23950 219.5
[M+Na-2H]- 379.20032 187.2
[M]+ 358.22510 187.8
[M]- 358.22620 187.8
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.