CID 457056

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

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CO
InChI
InChI=1S/C20H20N2O3/c23-12-19-13-24-20(25-19,14-22-11-10-21-15-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11,15,19,23H,12-14H2/t19-,20-/m0/s1
InChIKey
XYKYSHORCWJZMQ-PMACEKPBSA-N
Compound name
[(2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.1474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 176.2
[M+Na]+ 359.136618 183.0
[M-H]- 335.140124 186.6
[M+NH4]+ 354.181223 188.4
[M+K]+ 375.110558 180.4
[M+H-H2O]+ 319.144660 167.1
[M+HCOO]- 381.145601 194.6
[M+CH3COO]- 395.161251 187.0
[M+Na-2H]- 357.122066 178.2
[M]+ 336.14685142 176.7
[M]- 336.14794858 176.7
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.