CID 3077328

134070-25-0

Structural Information

Molecular Formula
C24H28F2N2O3
SMILES
CC1(C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1)O
InChI
InChI=1S/C24H28F2N2O3/c1-23(30)24(31-22(29)27-23)12-15-28(16-13-24)14-2-3-21(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21,30H,2-3,12-16H2,1H3,(H,27,29)
InChIKey
CMHMBKLXSVDOAC-UHFFFAOYSA-N
Compound name
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

430.2068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21408 204.4
[M+Na]+ 453.19602 209.6
[M-H]- 429.19952 208.2
[M+NH4]+ 448.24062 214.1
[M+K]+ 469.16996 203.7
[M+H-H2O]+ 413.20406 192.5
[M+HCOO]- 475.20500 212.6
[M+CH3COO]- 489.22065 210.6
[M+Na-2H]- 451.18147 201.3
[M]+ 430.20625 197.4
[M]- 430.20735 197.4
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.