CID 203028

13694-51-4

Structural Information

Molecular Formula
C19H23FN2O
SMILES
COC(CN1CCN(CC1)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C19H23FN2O/c1-23-19(16-5-3-2-4-6-16)15-21-11-13-22(14-12-21)18-9-7-17(20)8-10-18/h2-10,19H,11-15H2,1H3
InChIKey
YTHKEGDCXYGULR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(2-methoxy-2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17944 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18672 176.2
[M+Na]+ 337.16866 180.3
[M-H]- 313.17216 180.3
[M+NH4]+ 332.21326 187.0
[M+K]+ 353.14260 175.1
[M+H-H2O]+ 297.17670 164.1
[M+HCOO]- 359.17764 191.2
[M+CH3COO]- 373.19329 184.7
[M+Na-2H]- 335.15411 177.7
[M]+ 314.17889 171.4
[M]- 314.17999 171.4
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.