CID 208791

Verbindungen 339

Structural Information

Molecular Formula
C16H20N2O
SMILES
CCCCN1C=C(N=C1)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C16H20N2O/c1-3-5-10-18-12-16(17-13-18)14-6-8-15(9-7-14)19-11-4-2/h4,6-9,12-13H,2-3,5,10-11H2,1H3
InChIKey
OFPHKYFTSUESFO-UHFFFAOYSA-N
Compound name
1-butyl-4-(4-prop-2-enoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.2
[M+Na]+ 279.14678 169.0
[M-H]- 255.15028 164.9
[M+NH4]+ 274.19138 177.3
[M+K]+ 295.12072 164.4
[M+H-H2O]+ 239.15482 152.2
[M+HCOO]- 301.15576 183.4
[M+CH3COO]- 315.17141 196.7
[M+Na-2H]- 277.13223 164.1
[M]+ 256.15701 164.2
[M]- 256.15811 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.