CID 6446734

Brn 0822604

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]+ 311.15541 174.4
[M+Na]+ 333.13735 179.2
[M-H]- 309.14085 178.7
[M+NH4]+ 328.18195 185.3
[M+K]+ 349.11129 172.8
[M+H-H2O]+ 293.14539 162.5
[M+HCOO]- 355.14633 189.8
[M+CH3COO]- 369.16198 183.1
[M+Na-2H]- 331.12280 175.9
[M]+ 310.14758 168.1
[M]- 310.14868 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.