CID 3007517

Chembl27489

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
CCCOC1=C(C=C(C=C1)Cl)C(=C(C)C)N2C=CN=C2
InChI
InChI=1S/C16H19ClN2O/c1-4-9-20-15-6-5-13(17)10-14(15)16(12(2)3)19-8-7-18-11-19/h5-8,10-11H,4,9H2,1-3H3
InChIKey
SOVGRWXJYDGBNX-UHFFFAOYSA-N
Compound name
1-[1-(5-chloro-2-propoxyphenyl)-2-methylprop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1186 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 168.3
[M+Na]+ 313.10782 176.3
[M-H]- 289.11132 172.1
[M+NH4]+ 308.15242 183.9
[M+K]+ 329.08176 170.9
[M+H-H2O]+ 273.11586 159.9
[M+HCOO]- 335.11680 183.9
[M+CH3COO]- 349.13245 201.4
[M+Na-2H]- 311.09327 168.3
[M]+ 290.11805 172.1
[M]- 290.11915 172.1
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.