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]+ 373.248576 192.1
[M+Na]+ 395.230518 196.8
[M-H]- 371.234024 197.5
[M+NH4]+ 390.275123 208.5
[M+K]+ 411.204458 193.6
[M+H-H2O]+ 355.238560 184.1
[M+HCOO]- 417.239501 208.5
[M+CH3COO]- 431.255151 225.7
[M+Na-2H]- 393.215966 190.2
[M]+ 372.24075142 193.6
[M]- 372.24184858 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.