CID 3007601

107659-24-5

Structural Information

Molecular Formula
C15H16Cl2N2O2
SMILES
CC(C)C(=O)C(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C15H16Cl2N2O2/c1-10(2)14(20)15(21,8-19-6-5-18-9-19)12-4-3-11(16)7-13(12)17/h3-7,9-10,21H,8H2,1-2H3
InChIKey
WZBSGTBOTMKCDR-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.05887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06615 171.9
[M+Na]+ 349.04809 180.3
[M-H]- 325.05159 174.4
[M+NH4]+ 344.09269 185.7
[M+K]+ 365.02203 174.3
[M+H-H2O]+ 309.05613 164.9
[M+HCOO]- 371.05707 179.8
[M+CH3COO]- 385.07272 203.3
[M+Na-2H]- 347.03354 172.4
[M]+ 326.05832 175.6
[M]- 326.05942 175.6
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.