CID 3007450

1-[1-(5-chloro-2-sec-butoxy-phenyl)vinyl]imidazole

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
CCC(C)OC1=C(C=C(C=C1)Cl)C(=C)N2C=CN=C2
InChI
InChI=1S/C15H17ClN2O/c1-4-11(2)19-15-6-5-13(16)9-14(15)12(3)18-8-7-17-10-18/h5-11H,3-4H2,1-2H3
InChIKey
PNUNXTWGOBTEJK-UHFFFAOYSA-N
Compound name
1-[1-(2-butan-2-yloxy-5-chlorophenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.10294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 163.4
[M+Na]+ 299.09216 171.8
[M-H]- 275.09566 167.3
[M+NH4]+ 294.13676 179.4
[M+K]+ 315.06610 166.6
[M+H-H2O]+ 259.10020 155.2
[M+HCOO]- 321.10114 179.3
[M+CH3COO]- 335.11679 199.1
[M+Na-2H]- 297.07761 164.0
[M]+ 276.10239 166.9
[M]- 276.10349 166.9
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.