CID 510058

(2,4-dichlorophenyl) 2-[(2r,4s)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]acetate

Structural Information

Molecular Formula
C27H22Cl2N2O4
SMILES
C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CC(=O)OC5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C27H22Cl2N2O4/c28-22-10-11-25(24(29)14-22)34-26(32)15-23-16-33-27(35-23,17-31-13-12-30-18-31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-14,18,23H,15-17H2/t23-,27-/m0/s1
InChIKey
LBDXXBWGIRIZRC-HOFKKMOUSA-N
Compound name
(2,4-dichlorophenyl) 2-[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.09567 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.10295 220.1
[M+Na]+ 531.08489 227.8
[M-H]- 507.08839 233.7
[M+NH4]+ 526.12949 226.9
[M+K]+ 547.05883 223.0
[M+H-H2O]+ 491.09293 208.9
[M+HCOO]- 553.09387 227.9
[M+CH3COO]- 567.10952 228.1
[M+Na-2H]- 529.07034 216.3
[M]+ 508.09512 226.3
[M]- 508.09622 226.3
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.