CID 3077322

134070-22-7

Structural Information

Molecular Formula
C27H34F2N2O3
SMILES
CCCN1C(=O)OC2(C1(C)O)CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C27H34F2N2O3/c1-3-16-31-25(32)34-27(26(31,2)33)14-18-30(19-15-27)17-4-5-24(20-6-10-22(28)11-7-20)21-8-12-23(29)13-9-21/h6-13,24,33H,3-5,14-19H2,1-2H3
InChIKey
ZIKNPKCHZCLLBX-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

472.25375 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26103 219.3
[M+Na]+ 495.24297 228.9
[M+NH4]+ 490.28757 226.1
[M+K]+ 511.21691 219.9
[M-H]- 471.24647 222.0
[M+Na-2H]- 493.22842 224.4
[M]+ 472.25320 221.5
[M]- 472.25430 221.5
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

patents stripe