CID 9864321

Ono-6126

Structural Information

Molecular Formula
C20H27N3O4
SMILES
COC1=C(C=C(C=C1)C2(CCN(CC2)CC(=O)NO)C#N)OC3CCCC3
InChI
InChI=1S/C20H27N3O4/c1-26-17-7-6-15(12-18(17)27-16-4-2-3-5-16)20(14-21)8-10-23(11-9-20)13-19(24)22-25/h6-7,12,16,25H,2-5,8-11,13H2,1H3,(H,22,24)
InChIKey
VXYDHPDQMSVQCU-UHFFFAOYSA-N
Compound name
2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1044
Patents

373.20016 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20744 187.7
[M+Na]+ 396.18938 193.0
[M-H]- 372.19288 191.8
[M+NH4]+ 391.23398 198.9
[M+K]+ 412.16332 186.8
[M+H-H2O]+ 356.19742 172.6
[M+HCOO]- 418.19836 200.1
[M+CH3COO]- 432.21401 223.5
[M+Na-2H]- 394.17483 186.1
[M]+ 373.19961 178.8
[M]- 373.20071 178.8
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.