CID 213875

1-butanone, 1-(4-fluorophenyl)-4-(4-((4-methoxyphenyl)methyl)-1-piperazinyl)-, hydrochloride

Structural Information

Molecular Formula
C22H27FN2O2
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H27FN2O2/c1-27-21-10-4-18(5-11-21)17-25-15-13-24(14-16-25)12-2-3-22(26)19-6-8-20(23)9-7-19/h4-11H,2-3,12-17H2,1H3
InChIKey
HRADVTFQKGLUOO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.20566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.212936 191.9
[M+Na]+ 393.194878 195.7
[M-H]- 369.198384 195.9
[M+NH4]+ 388.239483 200.4
[M+K]+ 409.168818 189.9
[M+H-H2O]+ 353.202920 179.2
[M+HCOO]- 415.203861 206.1
[M+CH3COO]- 429.219511 218.3
[M+Na-2H]- 391.180326 191.0
[M]+ 370.20511142 189.1
[M]- 370.20620858 189.1
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

patents stripe