CID 162345338

Ns00132843

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C15H18N2O3/c1-15(2,3)13(19)14(17-9-8-16-10-17)20-12-6-4-11(18)5-7-12/h4-10,14,18H,1-3H3
InChIKey
NAPUESQUUCKTHT-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 163.8
[M+Na]+ 297.120958 170.2
[M-H]- 273.124464 166.8
[M+NH4]+ 292.165563 178.1
[M+K]+ 313.094898 167.8
[M+H-H2O]+ 257.129000 155.9
[M+HCOO]- 319.129941 181.7
[M+CH3COO]- 333.145591 195.5
[M+Na-2H]- 295.106406 166.3
[M]+ 274.13119142 165.3
[M]- 274.13228858 165.3
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.