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

895
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

literature stripe

Patent stripe

patents stripe