CID 3007598

107659-21-2

Structural Information

Molecular Formula
C16H18Cl2N2O2
SMILES
CCCCC(=O)C(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C16H18Cl2N2O2/c1-2-3-4-15(21)16(22,10-20-8-7-19-11-20)13-6-5-12(17)9-14(13)18/h5-9,11,22H,2-4,10H2,1H3
InChIKey
BDFHLRURZGTVEZ-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-ylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.07452 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08180 177.7
[M+Na]+ 363.06374 185.9
[M-H]- 339.06724 179.7
[M+NH4]+ 358.10834 190.9
[M+K]+ 379.03768 179.1
[M+H-H2O]+ 323.07178 170.1
[M+HCOO]- 385.07272 186.1
[M+CH3COO]- 399.08837 205.3
[M+Na-2H]- 361.04919 178.6
[M]+ 340.07397 182.1
[M]- 340.07507 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

literature stripe

Patent stripe

No patent data available for this compound.