CID 6454097

Falipamil hydrochloride

Structural Information

Molecular Formula
C24H32N2O5
SMILES
COC1=C(C=C(C=C1)CCCNCCCN2CC3=CC(=C(C=C3C2=O)OC)OC)OC
InChI
InChI=1S/C24H32N2O5/c1-28-20-9-8-17(13-21(20)29-2)7-5-10-25-11-6-12-26-16-18-14-22(30-3)23(31-4)15-19(18)24(26)27/h8-9,13-15,25H,5-7,10-12,16H2,1-4H3
InChIKey
RRHXZLGEMXFODX-UHFFFAOYSA-N
Compound name
2-[3-[3-(3,4-dimethoxyphenyl)propylamino]propyl]-5,6-dimethoxy-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

59
References

0
Patents

428.2311 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23838 206.9
[M+Na]+ 451.22032 218.0
[M+NH4]+ 446.26492 212.1
[M+K]+ 467.19426 212.3
[M-H]- 427.22382 209.7
[M+Na-2H]- 449.20577 210.0
[M]+ 428.23055 209.0
[M]- 428.23165 209.0
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.