CID 3009134

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

Structural Information

Molecular Formula
C15H13Cl2N5O2
SMILES
C1[C@@H](O[C@](O1)(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)CN4C=NC=N4
InChI
InChI=1S/C15H13Cl2N5O2/c16-11-1-2-13(14(17)5-11)15(21-4-3-18-9-21)23-7-12(24-15)6-22-10-19-8-20-22/h1-5,8-10,12H,6-7H2/t12-,15+/m0/s1
InChIKey
KOVDQEYXCWJNDS-SWLSCSKDSA-N
Compound name
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-imidazol-1-yl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.04462 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05190 176.6
[M+Na]+ 388.03384 187.8
[M-H]- 364.03734 184.4
[M+NH4]+ 383.07844 187.3
[M+K]+ 404.00778 184.3
[M+H-H2O]+ 348.04188 165.3
[M+HCOO]- 410.04282 185.5
[M+CH3COO]- 424.05847 187.2
[M+Na-2H]- 386.01929 175.5
[M]+ 365.04407 182.1
[M]- 365.04517 182.1
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.