CID 3007515

Chembl281319

Structural Information

Molecular Formula
C16H20N2O
SMILES
CCCOC1=CC=CC=C1C(=C(C)C)N2C=CN=C2
InChI
InChI=1S/C16H20N2O/c1-4-11-19-15-8-6-5-7-14(15)16(13(2)3)18-10-9-17-12-18/h5-10,12H,4,11H2,1-3H3
InChIKey
YFQJWGBBIHEXRT-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.15756 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 162.2
[M+Na]+ 279.14678 168.5
[M-H]- 255.15028 165.9
[M+NH4]+ 274.19138 178.0
[M+K]+ 295.12072 165.0
[M+H-H2O]+ 239.15482 153.3
[M+HCOO]- 301.15576 182.5
[M+CH3COO]- 315.17141 196.6
[M+Na-2H]- 277.13223 163.4
[M]+ 256.15701 163.5
[M]- 256.15811 163.5
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.