CID 3077300

134070-09-0

Structural Information

Molecular Formula
C25H30F2N2O3
SMILES
CC1(C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C)O
InChI
InChI=1S/C25H30F2N2O3/c1-24(31)25(32-23(30)28(24)2)13-16-29(17-14-25)15-3-4-22(18-5-9-20(26)10-6-18)19-7-11-21(27)12-8-19/h5-12,22,31H,3-4,13-17H2,1-2H3
InChIKey
HZMKFWCEBIFMDF-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

444.22244 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.22972 208.3
[M+Na]+ 467.21166 214.4
[M-H]- 443.21516 213.6
[M+NH4]+ 462.25626 218.4
[M+K]+ 483.18560 209.1
[M+H-H2O]+ 427.21970 196.2
[M+HCOO]- 489.22064 217.6
[M+CH3COO]- 503.23629 215.1
[M+Na-2H]- 465.19711 204.5
[M]+ 444.22189 203.8
[M]- 444.22299 203.8
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

patents stripe