CID 120454

902-88-5

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]+ 333.18088 179.0
[M+Na]+ 355.16282 185.0
[M-H]- 331.16632 183.2
[M+NH4]+ 350.20742 193.3
[M+K]+ 371.13676 180.8
[M+H-H2O]+ 315.17086 170.3
[M+HCOO]- 377.17180 193.9
[M+CH3COO]- 391.18745 205.7
[M+Na-2H]- 353.14827 178.4
[M]+ 332.17305 176.7
[M]- 332.17415 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.