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 200.7
[M+Na]+ 432.14492 207.5
[M-H]- 408.14842 207.7
[M+NH4]+ 427.18952 211.6
[M+K]+ 448.11886 199.2
[M+H-H2O]+ 392.15296 189.9
[M+HCOO]- 454.15390 213.8
[M+CH3COO]- 468.16955 209.0
[M+Na-2H]- 430.13037 199.7
[M]+ 409.15515 201.2
[M]- 409.15625 201.2
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.