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 225.9
[M+Na]+ 529.22732 230.9
[M-H]- 505.23082 233.7
[M+NH4]+ 524.27192 232.5
[M+K]+ 545.20126 224.3
[M+H-H2O]+ 489.23536 211.2
[M+HCOO]- 551.23630 234.5
[M+CH3COO]- 565.25195 231.1
[M+Na-2H]- 527.21277 221.0
[M]+ 506.23755 220.1
[M]- 506.23865 220.1
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.