CID 3077305

134070-12-5

Structural Information

Molecular Formula
C30H32F2N2O3
SMILES
CC1(C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5=CC=CC=C5)O
InChI
InChI=1S/C30H32F2N2O3/c1-29(36)30(37-28(35)34(29)26-6-3-2-4-7-26)17-20-33(21-18-30)19-5-8-27(22-9-13-24(31)14-10-22)23-11-15-25(32)16-12-23/h2-4,6-7,9-16,27,36H,5,8,17-21H2,1H3
InChIKey
HOUTYWUWXZLXJY-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-4-methyl-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

506.2381 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.24538 227.1
[M+Na]+ 529.22732 238.8
[M+NH4]+ 524.27192 234.4
[M+K]+ 545.20126 228.7
[M-H]- 505.23082 232.4
[M+Na-2H]- 527.21277 235.0
[M]+ 506.23755 230.4
[M]- 506.23865 230.4
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.