CID 135417384

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

Structural Information

Molecular Formula
C23H25N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN=CC3=C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C23H25N3O3/c1-29-21-9-5-4-8-20(21)26-14-12-25(13-15-26)11-10-24-16-19-22(27)17-6-2-3-7-18(17)23(19)28/h2-9,16,27H,10-15H2,1H3
InChIKey
KNHIOSZUJPYFAR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyliminomethyl]inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 195.2
[M+Na]+ 414.17882 201.1
[M-H]- 390.18232 202.7
[M+NH4]+ 409.22342 205.9
[M+K]+ 430.15276 194.9
[M+H-H2O]+ 374.18686 184.1
[M+HCOO]- 436.18780 213.2
[M+CH3COO]- 450.20345 203.9
[M+Na-2H]- 412.16427 195.1
[M]+ 391.18905 194.9
[M]- 391.19015 194.9
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.