CID 120454

Brn 0842412

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCOC1=CC=C(C=C1)N2C(=O)N(C(=O)C23CCCCC3)CCO
InChI
InChI=1S/C18H24N2O4/c1-2-24-15-8-6-14(7-9-15)20-17(23)19(12-13-21)16(22)18(20)10-4-3-5-11-18/h6-9,21H,2-5,10-13H2,1H3
InChIKey
LQUWRLMYWKLWFN-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.180876 179.0
[M+Na]+ 355.162818 185.0
[M-H]- 331.166324 183.2
[M+NH4]+ 350.207423 193.3
[M+K]+ 371.136758 180.8
[M+H-H2O]+ 315.170860 170.3
[M+HCOO]- 377.171801 193.9
[M+CH3COO]- 391.187451 205.7
[M+Na-2H]- 353.148266 178.4
[M]+ 332.17305142 176.7
[M]- 332.17414858 176.7
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.