CID 57524408

Apremilast (m10)

Structural Information

Molecular Formula
C21H22N2O8S
SMILES
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CO)O
InChI
InChI=1S/C21H22N2O8S/c1-3-31-17-9-12(7-8-16(17)25)15(11-32(2,29)30)23-20(27)13-5-4-6-14(19(13)21(23)28)22-18(26)10-24/h4-9,15,24-25H,3,10-11H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKey
ILPGBIZNVGEKFG-OAHLLOKOSA-N
Compound name
N-[2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

462.10968 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.11696 204.9
[M+Na]+ 485.09890 212.2
[M+NH4]+ 480.14350 206.8
[M+K]+ 501.07284 210.4
[M-H]- 461.10240 203.3
[M+Na-2H]- 483.08435 205.4
[M]+ 462.10913 205.3
[M]- 462.11023 205.3
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

patents stripe