CID 138394787

Dtxsid001009380

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC1=CC(=C(C=C1)C)C2(C(=O)C3(CCC(CC3)O)NC2=O)O
InChI
InChI=1S/C17H21NO4/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/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)
InChIKey
IYCMUFQTWLURRE-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 170.1
[M+Na]+ 326.136278 177.9
[M-H]- 302.139784 174.1
[M+NH4]+ 321.180883 188.1
[M+K]+ 342.110218 172.6
[M+H-H2O]+ 286.144320 164.4
[M+HCOO]- 348.145261 183.7
[M+CH3COO]- 362.160911 196.4
[M+Na-2H]- 324.121726 170.2
[M]+ 303.14651142 164.4
[M]- 303.14760858 164.4
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.