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]+ 399.24425 200.1
[M+Na]+ 421.22619 201.7
[M-H]- 397.22969 203.3
[M+NH4]+ 416.27079 207.0
[M+K]+ 437.20013 196.0
[M+H-H2O]+ 381.23423 187.0
[M+HCOO]- 443.23517 212.6
[M+CH3COO]- 457.25082 223.7
[M+Na-2H]- 419.21164 197.8
[M]+ 398.23642 197.0
[M]- 398.23752 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.