CID 205120

17502-68-0

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CCN(CC)CCCN1C(=O)CC2(C1=O)CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C21H30N2O3/c1-4-22(5-2)12-7-13-23-19(24)15-21(20(23)25)11-6-8-16-14-17(26-3)9-10-18(16)21/h9-10,14H,4-8,11-13,15H2,1-3H3
InChIKey
UATZYPFWKJRHMC-UHFFFAOYSA-N
Compound name
1'-[3-(diethylamino)propyl]-7-methoxyspiro[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 187.6
[M+Na]+ 381.21487 193.1
[M-H]- 357.21837 193.1
[M+NH4]+ 376.25947 204.7
[M+K]+ 397.18881 189.5
[M+H-H2O]+ 341.22291 179.4
[M+HCOO]- 403.22385 205.3
[M+CH3COO]- 417.23950 221.8
[M+Na-2H]- 379.20032 187.3
[M]+ 358.22510 189.3
[M]- 358.22620 189.3
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.