CID 487662

1-{3-[4-(tert-butyl)phenyl]-2-methylpropyl}-4-(4-fluorophenyl)piperazine

Structural Information

Molecular Formula
C24H33FN2
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H33FN2/c1-19(17-20-5-7-21(8-6-20)24(2,3)4)18-26-13-15-27(16-14-26)23-11-9-22(25)10-12-23/h5-12,19H,13-18H2,1-4H3
InChIKey
FGSFRMMDXNVPOY-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.2628 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27008 195.4
[M+Na]+ 391.25202 198.8
[M-H]- 367.25552 199.4
[M+NH4]+ 386.29662 204.5
[M+K]+ 407.22596 192.5
[M+H-H2O]+ 351.26006 183.4
[M+HCOO]- 413.26100 206.8
[M+CH3COO]- 427.27665 220.6
[M+Na-2H]- 389.23747 194.2
[M]+ 368.26225 190.7
[M]- 368.26335 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.