CID 510071

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

Structural Information

Molecular Formula
C26H20Cl2N2O4
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)Cl)Cl
InChI
InChI=1S/C26H20Cl2N2O4/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
GNIUUXHWGQACDZ-AHWVRZQESA-N
Compound name
(2,4-dichlorophenyl) (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

494.08002 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.08730 215.9
[M+Na]+ 517.06924 224.0
[M-H]- 493.07274 229.7
[M+NH4]+ 512.11384 223.2
[M+K]+ 533.04318 219.4
[M+H-H2O]+ 477.07728 204.8
[M+HCOO]- 539.07822 224.0
[M+CH3COO]- 553.09387 224.3
[M+Na-2H]- 515.05469 212.6
[M]+ 494.07947 221.8
[M]- 494.08057 221.8
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.