CID 3009133

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

Structural Information

Molecular Formula
C16H14Cl2N4O2
SMILES
C1[C@@H](O[C@](O1)(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)CN4C=CN=C4
InChI
InChI=1S/C16H14Cl2N4O2/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
NCCYIGBGXNJOLF-XJKSGUPXSA-N
Compound name
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-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

364.04938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05666 178.5
[M+Na]+ 387.03860 189.5
[M-H]- 363.04210 187.5
[M+NH4]+ 382.08320 190.7
[M+K]+ 403.01254 185.7
[M+H-H2O]+ 347.04664 168.1
[M+HCOO]- 409.04758 188.5
[M+CH3COO]- 423.06323 189.4
[M+Na-2H]- 385.02405 177.3
[M]+ 364.04883 184.1
[M]- 364.04993 184.1
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.