CID 39883

51037-51-5

Structural Information

Molecular Formula
C21H25FN2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(C(=O)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H25FN2O3/c1-27-20-5-3-2-4-18(20)24-14-12-23(13-15-24)11-10-19(25)21(26)16-6-8-17(22)9-7-16/h2-9,19,25H,10-15H2,1H3
InChIKey
UGOGBOUDQQAIQM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.1849 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19218 189.9
[M+Na]+ 395.17412 193.2
[M-H]- 371.17762 192.9
[M+NH4]+ 390.21872 197.5
[M+K]+ 411.14806 188.2
[M+H-H2O]+ 355.18216 177.9
[M+HCOO]- 417.18310 202.2
[M+CH3COO]- 431.19875 216.0
[M+Na-2H]- 393.15957 188.3
[M]+ 372.18435 185.9
[M]- 372.18545 185.9
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