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

1
Patents

256.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 161.2
[M+Na]+ 279.146778 169.0
[M-H]- 255.150284 164.9
[M+NH4]+ 274.191383 177.3
[M+K]+ 295.120718 164.4
[M+H-H2O]+ 239.154820 152.2
[M+HCOO]- 301.155761 183.4
[M+CH3COO]- 315.171411 196.7
[M+Na-2H]- 277.132226 164.1
[M]+ 256.15701142 164.2
[M]- 256.15810858 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.