CID 510074

(2,4-difluorophenyl) (2r,4s)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolane-4-carboxylate

Structural Information

Molecular Formula
C26H20F2N2O4
SMILES
C1[C@H](O[C@@](O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OC5=C(C=C(C=C5)F)F
InChI
InChI=1S/C26H20F2N2O4/c27-21-10-11-23(22(28)14-21)33-25(31)24-15-32-26(34-24,16-30-13-12-29-17-30)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-14,17,24H,15-16H2/t24-,26-/m0/s1
InChIKey
OPCPPOZDARAKFF-AHWVRZQESA-N
Compound name
(2,4-difluorophenyl) (2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.1391 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.14638 206.6
[M+Na]+ 485.12832 214.0
[M-H]- 461.13182 219.1
[M+NH4]+ 480.17292 213.8
[M+K]+ 501.10226 210.5
[M+H-H2O]+ 445.13636 194.1
[M+HCOO]- 507.13730 222.6
[M+CH3COO]- 521.15295 215.4
[M+Na-2H]- 483.11377 203.8
[M]+ 462.13855 207.1
[M]- 462.13965 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

literature stripe

Patent stripe

No patent data available for this compound.