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]+ 264.170676 163.9
[M+Na]+ 286.152618 168.5
[M-H]- 262.156124 164.7
[M+NH4]+ 281.197223 176.2
[M+K]+ 302.126558 164.2
[M+H-H2O]+ 246.160660 155.4
[M+HCOO]- 308.161601 179.0
[M+CH3COO]- 322.177251 195.5
[M+Na-2H]- 284.138066 165.2
[M]+ 263.16285142 158.0
[M]- 263.16394858 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

literature stripe

Patent stripe

No patent data available for this compound.