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]+ 371.21294 191.9
[M+Na]+ 393.19488 195.7
[M-H]- 369.19838 195.9
[M+NH4]+ 388.23948 200.4
[M+K]+ 409.16882 189.9
[M+H-H2O]+ 353.20292 179.2
[M+HCOO]- 415.20386 206.1
[M+CH3COO]- 429.21951 218.3
[M+Na-2H]- 391.18033 191.0
[M]+ 370.20511 189.1
[M]- 370.20621 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