CID 162345503

Ns00132851

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC(C)(C)/C(=C(\N1C=CN=C1)/OC2=CC=C(C=C2)Cl)/O
InChI
InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,19H,1-3H3/b14-13-
InChIKey
SNKSERDSWHUBRP-YPKPFQOOSA-N
Compound name
(Z)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbut-1-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09787 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.105146 167.3
[M+Na]+ 315.087088 174.8
[M-H]- 291.090594 170.2
[M+NH4]+ 310.131693 182.0
[M+K]+ 331.061028 169.9
[M+H-H2O]+ 275.095130 159.9
[M+HCOO]- 337.096071 180.4
[M+CH3COO]- 351.111721 196.4
[M+Na-2H]- 313.072536 169.2
[M]+ 292.09732142 169.4
[M]- 292.09841858 169.4
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.