CID 3057894

74247-07-7

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CC[C@H](CN(CC)CC)N1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C21H30N2O2/c1-4-17(15-22(5-2)6-3)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+/m1/s1
InChIKey
BIWSPYUTNMTYFS-UTKZUKDTSA-N
Compound name
(4S)-1'-[(2R)-1-(diethylamino)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

342.23074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 185.4
[M+Na]+ 365.21996 189.9
[M-H]- 341.22346 190.7
[M+NH4]+ 360.26456 202.9
[M+K]+ 381.19390 186.1
[M+H-H2O]+ 325.22800 177.3
[M+HCOO]- 387.22894 202.0
[M+CH3COO]- 401.24459 219.4
[M+Na-2H]- 363.20541 184.4
[M]+ 342.23019 184.7
[M]- 342.23129 184.7
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.