CID 3077302

134070-10-3

Structural Information

Molecular Formula
C31H34F2N2O3
SMILES
CC1(C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1CC5=CC=CC=C5)O
InChI
InChI=1S/C31H34F2N2O3/c1-30(37)31(38-29(36)35(30)22-23-6-3-2-4-7-23)17-20-34(21-18-31)19-5-8-28(24-9-13-26(32)14-10-24)25-11-15-27(33)16-12-25/h2-4,6-7,9-16,28,37H,5,8,17-22H2,1H3
InChIKey
UHCUZENFAHIWTC-UHFFFAOYSA-N
Compound name
3-benzyl-8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

520.2537 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26098 231.3
[M+Na]+ 543.24292 242.8
[M+NH4]+ 538.28752 238.5
[M+K]+ 559.21686 232.5
[M-H]- 519.24642 236.6
[M+Na-2H]- 541.22837 239.0
[M]+ 520.25315 234.6
[M]- 520.25425 234.6
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.