CID 135417386

1,3-indandione, 2-(((3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)amino)methylene)-, hydrochloride

Structural Information

Molecular Formula
C24H27N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCN=CC3=C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C24H27N3O3/c1-30-22-10-5-4-9-21(22)27-15-13-26(14-16-27)12-6-11-25-17-20-23(28)18-7-2-3-8-19(18)24(20)29/h2-5,7-10,17,28H,6,11-16H2,1H3
InChIKey
ZIQQHLTXCNVHBH-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyliminomethyl]inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 201.3
[M+Na]+ 428.19445 214.0
[M+NH4]+ 423.23905 207.8
[M+K]+ 444.16839 207.3
[M-H]- 404.19795 206.5
[M+Na-2H]- 426.17990 207.3
[M]+ 405.20468 204.4
[M]- 405.20578 204.4
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.