CID 210458

21263-18-3

Structural Information

Molecular Formula
C24H31FN2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CC(C)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H31FN2O2/c1-3-29-23(17-20-7-5-4-6-8-20)27-15-13-26(14-16-27)18-19(2)24(28)21-9-11-22(25)12-10-21/h4-12,19,23H,3,13-18H2,1-2H3
InChIKey
BAAVGUJEGRPVRG-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.23697 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.244246 199.6
[M+Na]+ 421.226188 200.9
[M-H]- 397.229694 203.0
[M+NH4]+ 416.270793 206.5
[M+K]+ 437.200128 195.9
[M+H-H2O]+ 381.234230 186.8
[M+HCOO]- 443.235171 211.2
[M+CH3COO]- 457.250821 224.6
[M+Na-2H]- 419.211636 196.3
[M]+ 398.23642142 196.0
[M]- 398.23751858 196.0
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.