CID 3058830

75639-64-4

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CN(CCCCN1C(=O)CC2(C1=O)CCC3=CC=CC=C3C2)CCO
InChI
InChI=1S/C20H28N2O3/c1-21(12-13-23)10-4-5-11-22-18(24)15-20(19(22)25)9-8-16-6-2-3-7-17(16)14-20/h2-3,6-7,23H,4-5,8-15H2,1H3
InChIKey
OJWKZSOCTXSDQW-UHFFFAOYSA-N
Compound name
1'-[4-[2-hydroxyethyl(methyl)amino]butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.217276 183.6
[M+Na]+ 367.199218 188.2
[M-H]- 343.202724 187.6
[M+NH4]+ 362.243823 200.2
[M+K]+ 383.173158 184.0
[M+H-H2O]+ 327.207260 175.6
[M+HCOO]- 389.208201 200.2
[M+CH3COO]- 403.223851 215.2
[M+Na-2H]- 365.184666 184.1
[M]+ 344.20945142 182.8
[M]- 344.21054858 182.8
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.