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]+ 306.17000 172.0
[M+Na]+ 328.15194 179.1
[M-H]- 304.15544 174.6
[M+NH4]+ 323.19654 189.4
[M+K]+ 344.12588 173.6
[M+H-H2O]+ 288.15998 166.6
[M+HCOO]- 350.16092 183.9
[M+CH3COO]- 364.17657 195.0
[M+Na-2H]- 326.13739 171.6
[M]+ 305.16217 165.3
[M]- 305.16327 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.