CID 135417388

1,3-indandione, 2-(((3-(4-(p-chlorophenyl)-1-piperazinyl)propyl)amino)methylene)-, hydrochloride

Structural Information

Molecular Formula
C23H24ClN3O2
SMILES
C1CN(CCN1CCCN=CC2=C(C3=CC=CC=C3C2=O)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H24ClN3O2/c24-17-6-8-18(9-7-17)27-14-12-26(13-15-27)11-3-10-25-16-21-22(28)19-4-1-2-5-20(19)23(21)29/h1-2,4-9,16,28H,3,10-15H2
InChIKey
SFRCJHDVFYJWEE-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyliminomethyl]-3-hydroxyinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16298 199.7
[M+Na]+ 432.14492 214.0
[M+NH4]+ 427.18952 207.2
[M+K]+ 448.11886 206.0
[M-H]- 408.14842 205.4
[M+Na-2H]- 430.13037 206.5
[M]+ 409.15515 203.6
[M]- 409.15625 203.6
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.