CID 205129

17502-76-0

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CN(CCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23)CCO
InChI
InChI=1S/C18H24N2O3/c1-19(11-12-21)9-10-20-16(22)13-18(17(20)23)8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,21H,4,6,8-13H2,1H3
InChIKey
QOTRTIUPJIWTQI-UHFFFAOYSA-N
Compound name
1'-[2-[2-hydroxyethyl(methyl)amino]ethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.17868 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 174.7
[M+Na]+ 339.167898 180.3
[M-H]- 315.171404 179.1
[M+NH4]+ 334.212503 192.5
[M+K]+ 355.141838 176.4
[M+H-H2O]+ 299.175940 167.1
[M+HCOO]- 361.176881 192.1
[M+CH3COO]- 375.192531 209.3
[M+Na-2H]- 337.153346 176.2
[M]+ 316.17813142 173.2
[M]- 316.17922858 173.2
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

No patent data available for this compound.