CID 169437992

Ranolazine 1-n-oxide

Structural Information

Molecular Formula
C24H33N3O5
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+]2(CCN(CC2)CC(COC3=CC=CC=C3OC)O)[O-]
InChI
InChI=1S/C24H33N3O5/c1-18-7-6-8-19(2)24(18)25-23(29)16-27(30)13-11-26(12-14-27)15-20(28)17-32-22-10-5-4-9-21(22)31-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
InChIKey
ZYRUUIZWBHDISU-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-oxidopiperazin-1-ium-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.24203 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.24931 206.5
[M+Na]+ 466.23125 207.7
[M-H]- 442.23475 209.5
[M+NH4]+ 461.27585 212.1
[M+K]+ 482.20519 198.7
[M+H-H2O]+ 426.23929 200.1
[M+HCOO]- 488.24023 219.0
[M+CH3COO]- 502.25588 221.0
[M+Na-2H]- 464.21670 207.7
[M]+ 443.24148 202.9
[M]- 443.24258 202.9
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.