CID 3009666

6-[(3r,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]-2-methyl-hexan-3-imine

Structural Information

Molecular Formula
C20H26F2N4O
SMILES
CC(C)C(=N)CCC[C@@H]1C[C@](OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C20H26F2N4O/c1-14(2)19(23)5-3-4-15-9-20(27-10-15,11-26-13-24-12-25-26)17-7-6-16(21)8-18(17)22/h6-8,12-15,23H,3-5,9-11H2,1-2H3/t15-,20+/m1/s1
InChIKey
USHMPLHPVRZGSP-QRWLVFNGSA-N
Compound name
6-[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-2-methylhexan-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.20746 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21474 188.6
[M+Na]+ 399.19668 194.3
[M-H]- 375.20018 192.5
[M+NH4]+ 394.24128 200.1
[M+K]+ 415.17062 190.1
[M+H-H2O]+ 359.20472 177.2
[M+HCOO]- 421.20566 203.6
[M+CH3COO]- 435.22131 220.5
[M+Na-2H]- 397.18213 185.2
[M]+ 376.20691 186.5
[M]- 376.20801 186.5
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.