CID 6021857

1-[(2e)-3-(3-bromophenyl)-2-propenoyl]-4-(4-fluorophenyl)piperazine

Structural Information

Molecular Formula
C19H18BrFN2O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC(=CC=C3)Br
InChI
InChI=1S/C19H18BrFN2O/c20-16-3-1-2-15(14-16)4-9-19(24)23-12-10-22(11-13-23)18-7-5-17(21)6-8-18/h1-9,14H,10-13H2/b9-4+
InChIKey
UTPUBYFZRPECQP-RUDMXATFSA-N
Compound name
(E)-3-(3-bromophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.05865 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06593 185.3
[M+Na]+ 411.04787 193.6
[M-H]- 387.05137 192.3
[M+NH4]+ 406.09247 197.5
[M+K]+ 427.02181 180.0
[M+H-H2O]+ 371.05591 181.1
[M+HCOO]- 433.05685 198.7
[M+CH3COO]- 447.07250 195.5
[M+Na-2H]- 409.03332 187.0
[M]+ 388.05810 198.4
[M]- 388.05920 198.4
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.