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
2
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]+ 322.212506 179.5
[M+Na]+ 344.194448 182.3
[M-H]- 320.197954 179.7
[M+NH4]+ 339.239053 189.1
[M+K]+ 360.168388 178.5
[M+H-H2O]+ 304.202490 170.4
[M+HCOO]- 366.203431 192.7
[M+CH3COO]- 380.219081 207.7
[M+Na-2H]- 342.179896 178.2
[M]+ 321.20468142 175.4
[M]- 321.20577858 175.4
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.