CID 3057872

Spiro(naphthalene-1(2h),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-7-chloro-1'-(3-(diethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCN(CC)[C@@H](C)CN1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-4-21(5-2)15(3)14-22-18(23)13-20(19(22)24)12-8-10-16-9-6-7-11-17(16)20/h6-7,9,11,15H,4-5,8,10,12-14H2,1-3H3/t15-,20-/m0/s1
InChIKey
VBYZULOIJNYLBC-YWZLYKJASA-N
Compound name
(4S)-1'-[(2S)-2-(diethylamino)propyl]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

328.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.222376 180.9
[M+Na]+ 351.204318 185.8
[M-H]- 327.207824 186.4
[M+NH4]+ 346.248923 198.9
[M+K]+ 367.178258 182.3
[M+H-H2O]+ 311.212360 172.9
[M+HCOO]- 373.213301 197.8
[M+CH3COO]- 387.228951 216.4
[M+Na-2H]- 349.189766 180.4
[M]+ 328.21455142 179.8
[M]- 328.21564858 179.8
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.