CID 6479460

Chembl2114359

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
CCCOC1=C(C=C(C=C1)Cl)/C(=C\C)/N2C=CN=C2
InChI
InChI=1S/C15H17ClN2O/c1-3-9-19-15-6-5-12(16)10-13(15)14(4-2)18-8-7-17-11-18/h4-8,10-11H,3,9H2,1-2H3/b14-4+
InChIKey
ZJTYSCYPGUTJHR-LNKIKWGQSA-N
Compound name
1-[(E)-1-(5-chloro-2-propoxyphenyl)prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.10294 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 164.0
[M+Na]+ 299.09216 172.7
[M-H]- 275.09566 167.8
[M+NH4]+ 294.13676 180.2
[M+K]+ 315.06610 167.1
[M+H-H2O]+ 259.10020 155.6
[M+HCOO]- 321.10114 180.8
[M+CH3COO]- 335.11679 197.6
[M+Na-2H]- 297.07761 165.6
[M]+ 276.10239 167.9
[M]- 276.10349 167.9
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.