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
3
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]+ 306.17000 171.3
[M+Na]+ 328.15194 180.6
[M+NH4]+ 323.19654 180.1
[M+K]+ 344.12588 174.2
[M-H]- 304.15544 172.7
[M+Na-2H]- 326.13739 176.6
[M]+ 305.16217 172.9
[M]- 305.16327 172.9
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.