CID 10322579

Dovramilast

Structural Information

Molecular Formula
C24H28N2O6S
SMILES
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2CC3=C(C2=O)C(=CC=C3)NC(=O)C4CC4)OC
InChI
InChI=1S/C24H28N2O6S/c1-4-32-21-12-16(10-11-20(21)31-2)19(14-33(3,29)30)26-13-17-6-5-7-18(22(17)24(26)28)25-23(27)15-8-9-15/h5-7,10-12,15,19H,4,8-9,13-14H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKey
QDZOBXFRIVOQBR-LJQANCHMSA-N
Compound name
N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

223
Patents

472.1668 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.17408 211.7
[M+Na]+ 495.15602 222.4
[M+NH4]+ 490.20062 216.9
[M+K]+ 511.12996 218.9
[M-H]- 471.15952 220.8
[M+Na-2H]- 493.14147 217.5
[M]+ 472.16625 217.1
[M]- 472.16735 217.1
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