CID 210428

21263-01-4

Structural Information

Molecular Formula
C25H33FN2O2
SMILES
CC(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C25H33FN2O2/c1-20(2)30-25(19-21-7-4-3-5-8-21)28-17-15-27(16-18-28)14-6-9-24(29)22-10-12-23(26)13-11-22/h3-5,7-8,10-13,20,25H,6,9,14-19H2,1-2H3
InChIKey
RUQURGNSCFKECN-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-(2-phenyl-1-propan-2-yloxyethyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2526 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25988 205.3
[M+Na]+ 435.24182 216.2
[M+NH4]+ 430.28642 210.7
[M+K]+ 451.21576 208.5
[M-H]- 411.24532 208.2
[M+Na-2H]- 433.22727 211.2
[M]+ 412.25205 207.4
[M]- 412.25315 207.4
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.