CID 139596824

Dtxsid501029363

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC1=CC(=C(C=C1)C)C2(C(C3(CCC(CC3)O)NC2=O)O)O
InChI
InChI=1S/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)
InChIKey
QRUPHNIZFZZGID-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 172.0
[M+Na]+ 328.151938 179.1
[M-H]- 304.155444 174.6
[M+NH4]+ 323.196543 189.4
[M+K]+ 344.125878 173.6
[M+H-H2O]+ 288.159980 166.6
[M+HCOO]- 350.160921 183.9
[M+CH3COO]- 364.176571 195.0
[M+Na-2H]- 326.137386 171.6
[M]+ 305.16217142 165.3
[M]- 305.16326858 165.3
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.