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

248
References

21860
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.