CID 3057906

74247-39-5

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCN(CC)C[C@@H](C)N1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-4-21(5-2)14-15(3)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+/m1/s1
InChIKey
OGQNLHJZDHCETH-QRWLVFNGSA-N
Compound name
(4S)-1'-[(2R)-1-(diethylamino)propan-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

328.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 180.9
[M+Na]+ 351.20432 185.8
[M-H]- 327.20782 186.4
[M+NH4]+ 346.24892 198.9
[M+K]+ 367.17826 182.3
[M+H-H2O]+ 311.21236 172.9
[M+HCOO]- 373.21330 197.8
[M+CH3COO]- 387.22895 216.4
[M+Na-2H]- 349.18977 180.4
[M]+ 328.21455 179.8
[M]- 328.21565 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.