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 199.6
[M+Na]+ 428.19445 204.9
[M-H]- 404.19795 206.8
[M+NH4]+ 423.23905 209.6
[M+K]+ 444.16839 198.6
[M+H-H2O]+ 388.20249 188.3
[M+HCOO]- 450.20343 217.1
[M+CH3COO]- 464.21908 226.6
[M+Na-2H]- 426.17990 199.0
[M]+ 405.20468 199.5
[M]- 405.20578 199.5
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.