CID 3009671

(2r-cis)-2-(2,4-difluorophenyl)-4-(5-methyl-4-oxohexyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]tetrahydrofuran

Structural Information

Molecular Formula
C20H25F2N3O2
SMILES
CC(C)C(=O)CCC[C@H]1C[C@](OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C20H25F2N3O2/c1-14(2)19(26)5-3-4-15-9-20(27-10-15,11-25-13-23-12-24-25)17-7-6-16(21)8-18(17)22/h6-8,12-15H,3-5,9-11H2,1-2H3/t15-,20-/m0/s1
InChIKey
SNVMVKJQLFUOFV-YWZLYKJASA-N
Compound name
6-[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-2-methylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1915 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19878 187.9
[M+Na]+ 400.18072 194.3
[M-H]- 376.18422 191.7
[M+NH4]+ 395.22532 199.6
[M+K]+ 416.15466 190.8
[M+H-H2O]+ 360.18876 176.8
[M+HCOO]- 422.18970 202.0
[M+CH3COO]- 436.20535 217.6
[M+Na-2H]- 398.16617 183.8
[M]+ 377.19095 187.8
[M]- 377.19205 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.