CID 167664

Rac 109

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCN(CC)CCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-3-21(4-2)13-8-14-22-18(23)15-20(19(22)24)12-7-10-16-9-5-6-11-17(16)20/h5-6,9,11H,3-4,7-8,10,12-15H2,1-2H3
InChIKey
ZIBPVLWIYWXNMK-UHFFFAOYSA-N
Compound name
1'-[3-(diethylamino)propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

328.2151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.222376 180.8
[M+Na]+ 351.204318 186.0
[M-H]- 327.207824 186.2
[M+NH4]+ 346.248923 198.9
[M+K]+ 367.178258 181.9
[M+H-H2O]+ 311.212360 172.5
[M+HCOO]- 373.213301 198.8
[M+CH3COO]- 387.228951 215.5
[M+Na-2H]- 349.189766 181.4
[M]+ 328.21455142 180.3
[M]- 328.21564858 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe