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]+ 337.15468 176.2
[M+Na]+ 359.13662 183.0
[M-H]- 335.14012 186.6
[M+NH4]+ 354.18122 188.4
[M+K]+ 375.11056 180.4
[M+H-H2O]+ 319.14466 167.1
[M+HCOO]- 381.14560 194.6
[M+CH3COO]- 395.16125 187.0
[M+Na-2H]- 357.12207 178.2
[M]+ 336.14685 176.7
[M]- 336.14795 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.