CID 56959

Ranolazine

Structural Information

Molecular Formula
C24H33N3O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O
InChI
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
InChIKey
XKLMZUWKNUAPSZ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

865
References

12144
Patents

427.2471 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.254376 206.0
[M+Na]+ 450.236318 207.8
[M-H]- 426.239824 210.2
[M+NH4]+ 445.280923 211.3
[M+K]+ 466.210258 203.6
[M+H-H2O]+ 410.244360 194.3
[M+HCOO]- 472.245301 219.6
[M+CH3COO]- 486.260951 230.2
[M+Na-2H]- 448.221766 203.6
[M]+ 427.24655142 205.2
[M]- 427.24764858 205.2
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

patents stripe