CID 6445518

1-piperazinepropanol, 4-(o-fluorophenyl)-alpha-(3,4,5-trimethoxystyryl)-, dihydrochloride

Structural Information

Molecular Formula
C24H31FN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(CCN2CCN(CC2)C3=CC=CC=C3F)O
InChI
InChI=1S/C24H31FN2O4/c1-29-22-16-18(17-23(30-2)24(22)31-3)8-9-19(28)10-11-26-12-14-27(15-13-26)21-7-5-4-6-20(21)25/h4-9,16-17,19,28H,10-15H2,1-3H3/b9-8+
InChIKey
BHRCCDVNZAGQDN-CMDGGOBGSA-N
Compound name
(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23406 207.1
[M+Na]+ 453.21600 211.1
[M-H]- 429.21950 210.2
[M+NH4]+ 448.26060 213.0
[M+K]+ 469.18994 205.7
[M+H-H2O]+ 413.22404 194.5
[M+HCOO]- 475.22498 219.5
[M+CH3COO]- 489.24063 227.9
[M+Na-2H]- 451.20145 203.6
[M]+ 430.22623 206.9
[M]- 430.22733 206.9
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.