CID 11561674

Apremilast

Structural Information

Molecular Formula
C22H24N2O7S
SMILES
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC
InChI
InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
InChIKey
IMOZEMNVLZVGJZ-QGZVFWFLSA-N
Compound name
N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

711
References

9287
Patents

460.13043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.13771 206.5
[M+Na]+ 483.11965 215.2
[M+NH4]+ 478.16425 209.6
[M+K]+ 499.09359 211.9
[M-H]- 459.12315 206.4
[M+Na-2H]- 481.10510 208.3
[M]+ 460.12988 207.8
[M]- 460.13098 207.8
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