CID 120285

1-propanone, 1-(2,5-diphenyl-3-furyl)-3-(4-methyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C24H26N2O2
SMILES
CN1CCN(CC1)CCC(=O)C2=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N2O2/c1-25-14-16-26(17-15-25)13-12-22(27)21-18-23(19-8-4-2-5-9-19)28-24(21)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3
InChIKey
VNIDIGYLNPOEGT-UHFFFAOYSA-N
Compound name
1-(2,5-diphenylfuran-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 192.8
[M+Na]+ 397.18865 197.0
[M-H]- 373.19215 202.4
[M+NH4]+ 392.23325 201.3
[M+K]+ 413.16259 192.0
[M+H-H2O]+ 357.19669 181.1
[M+HCOO]- 419.19763 208.6
[M+CH3COO]- 433.21328 201.2
[M+Na-2H]- 395.17410 191.2
[M]+ 374.19888 190.5
[M]- 374.19998 190.5
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.