CID 245940

Actiphenol

Structural Information

Molecular Formula
C15H17NO4
SMILES
CC1=CC(=C(C(=C1)C(=O)CC2CC(=O)NC(=O)C2)O)C
InChI
InChI=1S/C15H17NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h3-4,10,20H,5-7H2,1-2H3,(H,16,18,19)
InChIKey
YTLMIHBTPWTPEV-UHFFFAOYSA-N
Compound name
4-[2-(2-hydroxy-3,5-dimethylphenyl)-2-oxoethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

75
Patents

275.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 163.5
[M+Na]+ 298.10497 174.8
[M+NH4]+ 293.14957 169.0
[M+K]+ 314.07891 170.0
[M-H]- 274.10847 164.4
[M+Na-2H]- 296.09042 166.9
[M]+ 275.11520 165.0
[M]- 275.11630 165.0
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

patents stripe