CID 3009675

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

Structural Information

Molecular Formula
C21H26F2N2O2
SMILES
CC(C)C(=O)CCC[C@H]1C[C@](OC1)(CN2C=CN=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C21H26F2N2O2/c1-15(2)20(26)5-3-4-16-11-21(27-12-16,13-25-9-8-24-14-25)18-7-6-17(22)10-19(18)23/h6-10,14-16H,3-5,11-13H2,1-2H3/t16-,21-/m0/s1
InChIKey
QWLCZCXNBINMRB-KKSFZXQISA-N
Compound name
6-[(3S,5R)-5-(2,4-difluorophenyl)-5-(imidazol-1-ylmethyl)oxolan-3-yl]-2-methylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.19623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20351 189.1
[M+Na]+ 399.18545 195.2
[M-H]- 375.18895 194.2
[M+NH4]+ 394.23005 202.3
[M+K]+ 415.15939 191.5
[M+H-H2O]+ 359.19349 178.9
[M+HCOO]- 421.19443 204.3
[M+CH3COO]- 435.21008 217.8
[M+Na-2H]- 397.17090 184.7
[M]+ 376.19568 188.8
[M]- 376.19678 188.8
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.