CID 3057892

74247-06-6

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC[C@H](CN(C)C)N1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C19H26N2O2/c1-4-15(13-20(2)3)21-17(22)12-19(18(21)23)11-7-9-14-8-5-6-10-16(14)19/h5-6,8,10,15H,4,7,9,11-13H2,1-3H3/t15-,19+/m1/s1
InChIKey
WKSXNKLXEKKHDF-BEFAXECRSA-N
Compound name
(4S)-1'-[(2R)-1-(dimethylamino)butan-2-yl]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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.7
[M+Na]+ 337.18865 186.5
[M+NH4]+ 332.23325 185.9
[M+K]+ 353.16259 179.9
[M-H]- 313.19215 179.6
[M+Na-2H]- 335.17410 181.3
[M]+ 314.19888 178.8
[M]- 314.19998 178.8
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.