CID 510053

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

Structural Information

Molecular Formula
C27H23ClN2O4
SMILES
C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CC(=O)OC5=CC(=CC=C5)Cl
InChI
InChI=1S/C27H23ClN2O4/c28-23-7-4-8-24(15-23)33-26(31)16-25-17-32-27(34-25,18-30-14-13-29-19-30)22-11-9-21(10-12-22)20-5-2-1-3-6-20/h1-15,19,25H,16-18H2/t25-,27-/m0/s1
InChIKey
HPDJMGDVVNEOPJ-BDYUSTAISA-N
Compound name
(3-chlorophenyl) 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

474.13464 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14192 212.8
[M+Na]+ 497.12386 219.4
[M-H]- 473.12736 227.0
[M+NH4]+ 492.16846 220.1
[M+K]+ 513.09780 215.3
[M+H-H2O]+ 457.13190 201.5
[M+HCOO]- 519.13284 225.8
[M+CH3COO]- 533.14849 221.4
[M+Na-2H]- 495.10931 210.6
[M]+ 474.13409 217.2
[M]- 474.13519 217.2
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.