CID 46781239

O-desaryl ranolazine

Structural Information

Molecular Formula
C17H27N3O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(CO)O
InChI
InChI=1S/C17H27N3O3/c1-13-4-3-5-14(2)17(13)18-16(23)11-20-8-6-19(7-9-20)10-15(22)12-21/h3-5,15,21-22H,6-12H2,1-2H3,(H,18,23)
InChIKey
LDEJNELBMSFPDJ-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20523 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21251 179.3
[M+Na]+ 344.19445 187.9
[M+NH4]+ 339.23905 184.0
[M+K]+ 360.16839 183.4
[M-H]- 320.19795 180.1
[M+Na-2H]- 342.17990 182.1
[M]+ 321.20468 180.2
[M]- 321.20578 180.2
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

No patent data available for this compound.