CID 171440

75536-36-6

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC(C)(C)C(C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H19ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,13-14,19H,1-3H3
InChIKey
JRGUJQIBKGUMHR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

35
Patents

294.1135 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.120776 167.9
[M+Na]+ 317.102718 174.9
[M-H]- 293.106224 170.7
[M+NH4]+ 312.147323 182.4
[M+K]+ 333.076658 170.7
[M+H-H2O]+ 277.110760 160.3
[M+HCOO]- 339.111701 180.8
[M+CH3COO]- 353.127351 198.0
[M+Na-2H]- 315.088166 169.8
[M]+ 294.11295142 170.7
[M]- 294.11404858 170.7
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

patents stripe