CID 3077259

8-(4,4-bis(4-fluorophenyl)butyl)-3-ethyl-4-methylene-1-oxa-3,8-diazaspiro(4.5)decan-2-one

Structural Information

Molecular Formula
C26H30F2N2O2
SMILES
CCN1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O
InChI
InChI=1S/C26H30F2N2O2/c1-3-30-19(2)26(32-25(30)31)14-17-29(18-15-26)16-4-5-24(20-6-10-22(27)11-7-20)21-8-12-23(28)13-9-21/h6-13,24H,2-5,14-18H2,1H3
InChIKey
RQCQFYAOSOZJQQ-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

440.22754 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23482 210.6
[M+Na]+ 463.21676 215.9
[M-H]- 439.22026 216.5
[M+NH4]+ 458.26136 219.3
[M+K]+ 479.19070 209.4
[M+H-H2O]+ 423.22480 197.5
[M+HCOO]- 485.22574 220.9
[M+CH3COO]- 499.24139 217.1
[M+Na-2H]- 461.20221 204.9
[M]+ 440.22699 205.4
[M]- 440.22809 205.4
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

patents stripe