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]+ 429.238376 205.0
[M+Na]+ 451.220318 211.2
[M-H]- 427.223824 211.0
[M+NH4]+ 446.264923 216.4
[M+K]+ 467.194258 207.4
[M+H-H2O]+ 411.228360 195.4
[M+HCOO]- 473.229301 225.6
[M+CH3COO]- 487.244951 233.9
[M+Na-2H]- 449.205766 204.0
[M]+ 428.23055142 214.1
[M]- 428.23164858 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.