CID 205129

Brn 1549727

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]+ 317.18596 174.7
[M+Na]+ 339.16790 180.3
[M-H]- 315.17140 179.1
[M+NH4]+ 334.21250 192.5
[M+K]+ 355.14184 176.4
[M+H-H2O]+ 299.17594 167.1
[M+HCOO]- 361.17688 192.1
[M+CH3COO]- 375.19253 209.3
[M+Na-2H]- 337.15335 176.2
[M]+ 316.17813 173.2
[M]- 316.17923 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.