CID 151170

Cilomilast

Structural Information

Molecular Formula
C20H25NO4
SMILES
COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3
InChI
InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
InChIKey
CFBUZOUXXHZCFB-UHFFFAOYSA-N
Compound name
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

247
References

20354
Patents

343.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 180.8
[M+Na]+ 366.16756 189.6
[M+NH4]+ 361.21216 185.4
[M+K]+ 382.14150 180.6
[M-H]- 342.17106 176.7
[M+Na-2H]- 364.15301 183.8
[M]+ 343.17779 179.9
[M]- 343.17889 179.9
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