CID 6446734

2-propen-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C19H19FN2O
SMILES
C1CN(CCN1/C=C/C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C19H19FN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-11H,12-15H2/b11-10+
InChIKey
IJYFFDFVEDINQA-ZHACJKMWSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.155406 174.4
[M+Na]+ 333.137348 179.2
[M-H]- 309.140854 178.7
[M+NH4]+ 328.181953 185.3
[M+K]+ 349.111288 172.8
[M+H-H2O]+ 293.145390 162.5
[M+HCOO]- 355.146331 189.8
[M+CH3COO]- 369.161981 183.1
[M+Na-2H]- 331.122796 175.9
[M]+ 310.14758142 168.1
[M]- 310.14867858 168.1
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.