CID 169502260

Ranolazine metabolite rs-88250

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC1=CC(=CC(=C1NC(=O)CN2CCNCC2)C)O
InChI
InChI=1S/C14H21N3O2/c1-10-7-12(18)8-11(2)14(10)16-13(19)9-17-5-3-15-4-6-17/h7-8,15,18H,3-6,9H2,1-2H3,(H,16,19)
InChIKey
ZCCZMURRWQKZOP-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-2,6-dimethylphenyl)-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.9
[M+Na]+ 286.15262 168.5
[M-H]- 262.15612 164.7
[M+NH4]+ 281.19722 176.2
[M+K]+ 302.12656 164.2
[M+H-H2O]+ 246.16066 155.4
[M+HCOO]- 308.16160 179.0
[M+CH3COO]- 322.17725 195.5
[M+Na-2H]- 284.13807 165.2
[M]+ 263.16285 158.0
[M]- 263.16395 158.0
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.