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]+ 433.106396 197.5
[M+Na]+ 455.088338 204.8
[M-H]- 431.091844 203.2
[M+NH4]+ 450.132943 208.1
[M+K]+ 471.062278 201.6
[M+H-H2O]+ 415.096380 190.9
[M+HCOO]- 477.097321 210.5
[M+CH3COO]- 491.112971 227.3
[M+Na-2H]- 453.073786 196.7
[M]+ 432.09857142 204.3
[M]- 432.09966858 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

literature stripe

Patent stripe

patents stripe