CID 6602267

76311-62-1

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(C1=O)CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C22H32N2O3/c1-5-23(6-2)16(3)11-13-24-20(25)15-22(21(24)26)12-7-8-17-14-18(27-4)9-10-19(17)22/h9-10,14,16H,5-8,11-13,15H2,1-4H3/t16-,22-/m0/s1
InChIKey
SAKMFRUGJVRBKD-AOMKIAJQSA-N
Compound name
(4S)-1'-[(3S)-3-(diethylamino)butyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 192.1
[M+Na]+ 395.23052 196.8
[M-H]- 371.23402 197.5
[M+NH4]+ 390.27512 208.5
[M+K]+ 411.20446 193.6
[M+H-H2O]+ 355.23856 184.1
[M+HCOO]- 417.23950 208.5
[M+CH3COO]- 431.25515 225.7
[M+Na-2H]- 393.21597 190.2
[M]+ 372.24075 193.6
[M]- 372.24185 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.