CID 210397

21230-80-8

Structural Information

Molecular Formula
C24H31FN2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H31FN2O2/c1-2-29-24(19-20-7-4-3-5-8-20)27-17-15-26(16-18-27)14-6-9-23(28)21-10-12-22(25)13-11-21/h3-5,7-8,10-13,24H,2,6,9,14-19H2,1H3
InChIKey
ZLLFWUHGOOTJPS-UHFFFAOYSA-N
Compound name
4-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.23697 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.244246 200.1
[M+Na]+ 421.226188 201.7
[M-H]- 397.229694 203.3
[M+NH4]+ 416.270793 207.0
[M+K]+ 437.200128 196.0
[M+H-H2O]+ 381.234230 187.0
[M+HCOO]- 443.235171 212.6
[M+CH3COO]- 457.250821 223.7
[M+Na-2H]- 419.211636 197.8
[M]+ 398.23642142 197.0
[M]- 398.23751858 197.0
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.