CID 3007596

107659-19-8

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC(C)C(=O)C(CN1C=CN=C1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H17ClN2O2/c1-11(2)14(19)15(20,9-18-8-7-17-10-18)12-3-5-13(16)6-4-12/h3-8,10-11,20H,9H2,1-2H3
InChIKey
DPLAAXUTVBZPEW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.09787 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 166.8
[M+Na]+ 315.08709 174.0
[M-H]- 291.09059 169.5
[M+NH4]+ 310.13169 181.2
[M+K]+ 331.06103 169.2
[M+H-H2O]+ 275.09513 159.2
[M+HCOO]- 337.09607 179.8
[M+CH3COO]- 351.11172 197.8
[M+Na-2H]- 313.07254 168.7
[M]+ 292.09732 169.0
[M]- 292.09842 169.0
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.