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 205.0
[M+Na]+ 451.22032 211.2
[M-H]- 427.22382 211.0
[M+NH4]+ 446.26492 216.4
[M+K]+ 467.19426 207.4
[M+H-H2O]+ 411.22836 195.4
[M+HCOO]- 473.22930 225.6
[M+CH3COO]- 487.24495 233.9
[M+Na-2H]- 449.20577 204.0
[M]+ 428.23055 214.1
[M]- 428.23165 214.1
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.