CID 44476

63377-13-9

Structural Information

Molecular Formula
C26H31F2NO3
SMILES
CCC1COC(OC12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H31F2NO3/c1-2-21-18-31-25(20-7-11-23(28)12-8-20)32-26(21)13-16-29(17-14-26)15-3-4-24(30)19-5-9-22(27)10-6-19/h5-12,21,25H,2-4,13-18H2,1H3
InChIKey
VYTBODYVZOWJPE-UHFFFAOYSA-N
Compound name
4-[5-ethyl-2-(4-fluorophenyl)-1,3-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.2272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.23448 212.9
[M+Na]+ 466.21642 216.3
[M-H]- 442.21992 219.8
[M+NH4]+ 461.26102 219.2
[M+K]+ 482.19036 212.5
[M+H-H2O]+ 426.22446 199.0
[M+HCOO]- 488.22540 221.2
[M+CH3COO]- 502.24105 218.8
[M+Na-2H]- 464.20187 210.2
[M]+ 443.22665 207.1
[M]- 443.22775 207.1
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.