CID 13370204

97306-25-7

Structural Information

Molecular Formula
C22H31F3N2O2
SMILES
CC1C2(CCCCC2)OCC(O1)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H31F3N2O2/c1-17-21(8-3-2-4-9-21)28-16-20(29-17)15-26-10-12-27(13-11-26)19-7-5-6-18(14-19)22(23,24)25/h5-7,14,17,20H,2-4,8-13,15-16H2,1H3
InChIKey
XTFJDRZSFWXPNR-UHFFFAOYSA-N
Compound name
1-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.23376 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24104 204.6
[M+Na]+ 435.22298 206.5
[M-H]- 411.22648 208.0
[M+NH4]+ 430.26758 210.6
[M+K]+ 451.19692 203.2
[M+H-H2O]+ 395.23102 189.8
[M+HCOO]- 457.23196 206.6
[M+CH3COO]- 471.24761 209.2
[M+Na-2H]- 433.20843 202.9
[M]+ 412.23321 191.5
[M]- 412.23431 191.5
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.