CID 54708610

3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1=CC(=C(C=C1)C)C2=C(C3(CCC(CC3)OC)NC2=O)O
InChI
InChI=1S/C18H23NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,20H,6-9H2,1-3H3,(H,19,21)
InChIKey
IDJJHEIUIYGFDX-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

431
Patents

301.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.6
[M+Na]+ 324.15702 179.2
[M-H]- 300.16052 176.8
[M+NH4]+ 319.20162 188.6
[M+K]+ 340.13096 174.0
[M+H-H2O]+ 284.16506 164.7
[M+HCOO]- 346.16600 187.5
[M+CH3COO]- 360.18165 200.0
[M+Na-2H]- 322.14247 170.9
[M]+ 301.16725 168.1
[M]- 301.16835 168.1
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.