CID 3007519

Chembl26157

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCCCOC1=CC=CC=C1C(=C(C)C)N2C=CN=C2
InChI
InChI=1S/C17H22N2O/c1-4-5-12-20-16-9-7-6-8-15(16)17(14(2)3)19-11-10-18-13-19/h6-11,13H,4-5,12H2,1-3H3
InChIKey
XGBIJXSJYPTYDQ-UHFFFAOYSA-N
Compound name
1-[1-(2-butoxyphenyl)-2-methylprop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 166.8
[M+Na]+ 293.16244 172.7
[M-H]- 269.16594 170.3
[M+NH4]+ 288.20704 182.0
[M+K]+ 309.13638 168.9
[M+H-H2O]+ 253.17048 157.7
[M+HCOO]- 315.17142 186.7
[M+CH3COO]- 329.18707 199.5
[M+Na-2H]- 291.14789 167.5
[M]+ 270.17267 168.5
[M]- 270.17377 168.5
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.