CID 172289

Alteconazole

Structural Information

Molecular Formula

C₁₇H₁₂Cl₃N₃O

SMILES

C1=CC(=CC=C1[C@@]2([C@H](O2)C3=C(C=C(C=C3)Cl)Cl)CN4C=NC=N4)Cl

InChI

InChI=1S/C17H12Cl3N3O/c18-12-3-1-11(2-4-12)17(8-23-10-21-9-22-23)16(24-17)14-6-5-13(19)7-15(14)20/h1-7,9-10,16H,8H2/t16-,17-/m1/s1

InChIKey

HUSJLAKLJPOCEL-IAGOWNOFSA-N

Compound name

1-[[(2S,3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 379.0046 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.011876	180.2
[M+Na]+	401.993818	192.2
[M-H]-	377.997324	187.3
[M+NH4]+	397.038423	186.9
[M+K]+	417.967758	186.1
[M+H-H2O]+	362.001860	169.9
[M+HCOO]-	424.002801	185.6
[M+CH3COO]-	438.018451	189.5
[M+Na-2H]-	399.979266	181.6
[M]+	379.00405142	186.8
[M]-	379.00514858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe