CID 6602264

74247-02-2

Structural Information

Molecular Formula
C19H26N2O2
SMILES
C[C@@H](CCN1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23)N(C)C
InChI
InChI=1S/C19H26N2O2/c1-14(20(2)3)10-12-21-17(22)13-19(18(21)23)11-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,14H,6,8,10-13H2,1-3H3/t14-,19-/m0/s1
InChIKey
LFIOGXGOKCOPRK-LIRRHRJNSA-N
Compound name
(4S)-1'-[(3S)-3-(dimethylamino)butyl]spiro[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

314.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.4
[M+Na]+ 337.18865 181.7
[M-H]- 313.19215 182.0
[M+NH4]+ 332.23325 195.0
[M+K]+ 353.16259 178.4
[M+H-H2O]+ 297.19669 168.6
[M+HCOO]- 359.19763 193.7
[M+CH3COO]- 373.21328 213.4
[M+Na-2H]- 335.17410 176.4
[M]+ 314.19888 174.9
[M]- 314.19998 174.9
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.