CID 3057890

74247-05-5

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CC[C@@H](CN1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23)N(CC)CC
InChI
InChI=1S/C21H30N2O2/c1-4-17(22(5-2)6-3)15-23-19(24)14-21(20(23)25)13-9-11-16-10-7-8-12-18(16)21/h7-8,10,12,17H,4-6,9,11,13-15H2,1-3H3/t17-,21-/m0/s1
InChIKey
QSTXDEAYFRQKPL-UWJYYQICSA-N
Compound name
(4S)-1'-[(2S)-2-(diethylamino)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

342.23074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 185.5
[M+Na]+ 365.21996 194.9
[M+NH4]+ 360.26456 194.3
[M+K]+ 381.19390 187.8
[M-H]- 341.22346 188.3
[M+Na-2H]- 363.20541 189.5
[M]+ 342.23019 187.6
[M]- 342.23129 187.6
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.