CID 510078

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

Structural Information

Molecular Formula
C26H22N2O4
SMILES
C1[C@H](O[C@@](O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5
InChI
InChI=1S/C26H22N2O4/c29-25(31-23-9-5-2-6-10-23)24-17-30-26(32-24,18-28-16-15-27-19-28)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-16,19,24H,17-18H2/t24-,26-/m0/s1
InChIKey
JPFWDFPNTINQET-AHWVRZQESA-N
Compound name
phenyl (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

426.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16524 199.3
[M+Na]+ 449.14718 204.8
[M-H]- 425.15068 213.6
[M+NH4]+ 444.19178 207.4
[M+K]+ 465.12112 202.2
[M+H-H2O]+ 409.15522 188.3
[M+HCOO]- 471.15616 217.4
[M+CH3COO]- 485.17181 208.6
[M+Na-2H]- 447.13263 199.0
[M]+ 426.15741 200.5
[M]- 426.15851 200.5
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.