CID 3009137

1-[[(2r,4s)-2-(2,4-difluorophenyl)-2-imidazol-1-yl-1,3-dioxolan-4-yl]methyl]imidazole

Structural Information

Molecular Formula
C16H14F2N4O2
SMILES
C1[C@@H](O[C@](O1)(C2=C(C=C(C=C2)F)F)N3C=CN=C3)CN4C=CN=C4
InChI
InChI=1S/C16H14F2N4O2/c17-12-1-2-14(15(18)7-12)16(22-6-4-20-11-22)23-9-13(24-16)8-21-5-3-19-10-21/h1-7,10-11,13H,8-9H2/t13-,16+/m0/s1
InChIKey
GNMFUJMWNNZWRK-XJKSGUPXSA-N
Compound name
1-[[(2R,4S)-2-(2,4-difluorophenyl)-2-imidazol-1-yl-1,3-dioxolan-4-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11578 166.0
[M+Na]+ 355.09772 176.7
[M-H]- 331.10122 174.1
[M+NH4]+ 350.14232 178.6
[M+K]+ 371.07166 174.4
[M+H-H2O]+ 315.10576 155.3
[M+HCOO]- 377.10670 184.6
[M+CH3COO]- 391.12235 177.9
[M+Na-2H]- 353.08317 165.9
[M]+ 332.10795 167.6
[M]- 332.10905 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.