CID 57524486

Apremilast impurity l

Structural Information

Molecular Formula
C20H20N2O7S
SMILES
CC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)[C@H](CS(=O)(=O)C)C3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C20H20N2O7S/c1-11(23)21-14-6-4-5-13-18(14)20(26)22(19(13)25)15(10-30(3,27)28)12-7-8-17(29-2)16(24)9-12/h4-9,15,24H,10H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKey
SCUNUALPLIEGMD-OAHLLOKOSA-N
Compound name
N-[2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

432.09912 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.10640 197.5
[M+Na]+ 455.08834 204.8
[M-H]- 431.09184 203.2
[M+NH4]+ 450.13294 208.1
[M+K]+ 471.06228 201.6
[M+H-H2O]+ 415.09638 190.9
[M+HCOO]- 477.09732 210.5
[M+CH3COO]- 491.11297 227.3
[M+Na-2H]- 453.07379 196.7
[M]+ 432.09857 204.3
[M]- 432.09967 204.3
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

No patent data available for this compound.