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]+ 399.24425 199.6
[M+Na]+ 421.22619 200.9
[M-H]- 397.22969 203.0
[M+NH4]+ 416.27079 206.5
[M+K]+ 437.20013 195.9
[M+H-H2O]+ 381.23423 186.8
[M+HCOO]- 443.23517 211.2
[M+CH3COO]- 457.25082 224.6
[M+Na-2H]- 419.21164 196.3
[M]+ 398.23642 196.0
[M]- 398.23752 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.