CID 3065076

106609-36-3

Structural Information

Molecular Formula
C23H23FN2O
SMILES
C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CC=C3)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H23FN2O/c24-21-7-9-22(10-8-21)26-14-12-25(13-15-26)17-20-16-19(6-11-23(20)27)18-4-2-1-3-5-18/h1-11,16,27H,12-15,17H2
InChIKey
LGXQVNCADSCQOE-UHFFFAOYSA-N
Compound name
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.17944 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18672 189.7
[M+Na]+ 385.16866 195.0
[M-H]- 361.17216 196.0
[M+NH4]+ 380.21326 197.7
[M+K]+ 401.14260 186.9
[M+H-H2O]+ 345.17670 176.4
[M+HCOO]- 407.17764 203.8
[M+CH3COO]- 421.19329 197.3
[M+Na-2H]- 383.15411 190.5
[M]+ 362.17889 183.0
[M]- 362.17999 183.0
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.