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
4
Annotation Hits

248
References

21078
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 183.5
[M+Na]+ 366.16756 190.4
[M-H]- 342.17106 189.5
[M+NH4]+ 361.21216 197.6
[M+K]+ 382.14150 183.3
[M+H-H2O]+ 326.17560 170.0
[M+HCOO]- 388.17654 196.5
[M+CH3COO]- 402.19219 217.0
[M+Na-2H]- 364.15301 181.3
[M]+ 343.17779 175.1
[M]- 343.17889 175.1
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