CID 3034597

B837w6m2at

Structural Information

Molecular Formula
C22H25FN2O
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)/C=C(\C)/C(=O)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C22H25FN2O/c1-16-4-9-21(14-17(16)2)25-12-10-24(11-13-25)15-18(3)22(26)19-5-7-20(23)8-6-19/h4-9,14-15H,10-13H2,1-3H3/b18-15+
InChIKey
VGSDFSCLAWDOAH-OBGWFSINSA-N
Compound name
(E)-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1951 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20238 187.3
[M+Na]+ 375.18432 192.4
[M-H]- 351.18782 191.9
[M+NH4]+ 370.22892 197.0
[M+K]+ 391.15826 185.9
[M+H-H2O]+ 335.19236 175.5
[M+HCOO]- 397.19330 200.6
[M+CH3COO]- 411.20895 217.0
[M+Na-2H]- 373.16977 184.6
[M]+ 352.19455 182.3
[M]- 352.19565 182.3
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.