CID 71222

Falipamil

Structural Information

Molecular Formula
C24H32N2O5
SMILES
CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C24H32N2O5/c1-25(12-9-17-7-8-20(28-2)21(13-17)29-3)10-6-11-26-16-18-14-22(30-4)23(31-5)15-19(18)24(26)27/h7-8,13-15H,6,9-12,16H2,1-5H3
InChIKey
UUMGNNQOCVDZDG-UHFFFAOYSA-N
Compound name
2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-5,6-dimethoxy-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

246
Patents

428.2311 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.238376 205.4
[M+Na]+ 451.220318 211.7
[M-H]- 427.223824 212.9
[M+NH4]+ 446.264923 217.5
[M+K]+ 467.194258 209.3
[M+H-H2O]+ 411.228360 195.7
[M+HCOO]- 473.229301 226.5
[M+CH3COO]- 487.244951 237.1
[M+Na-2H]- 449.205766 203.6
[M]+ 428.23055142 215.7
[M]- 428.23164858 215.7
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