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 230.0
[M+Na]+ 543.24292 234.5
[M-H]- 519.24642 237.6
[M+NH4]+ 538.28752 236.0
[M+K]+ 559.21686 227.8
[M+H-H2O]+ 503.25096 215.1
[M+HCOO]- 565.25190 238.2
[M+CH3COO]- 579.26755 234.7
[M+Na-2H]- 541.22837 224.6
[M]+ 520.25315 224.5
[M]- 520.25425 224.5
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

No patent data available for this compound.