CID 3057874

Brn 1549050

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCCNCCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C20H28N2O2/c1-2-12-21-13-5-6-14-22-18(23)15-20(19(22)24)11-7-9-16-8-3-4-10-17(16)20/h3-4,8,10,21H,2,5-7,9,11-15H2,1H3
InChIKey
RTOZWPIAYGPODM-UHFFFAOYSA-N
Compound name
1'-[4-(propylamino)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

328.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 180.5
[M+Na]+ 351.20432 185.6
[M-H]- 327.20782 184.4
[M+NH4]+ 346.24892 198.0
[M+K]+ 367.17826 180.1
[M+H-H2O]+ 311.21236 172.3
[M+HCOO]- 373.21330 198.0
[M+CH3COO]- 387.22895 212.2
[M+Na-2H]- 349.18977 181.9
[M]+ 328.21455 178.8
[M]- 328.21565 178.8
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.