CID 218232

Verbindungen 338 [german]

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCCCN1C=C(N=C1)C2=CC=C(C=C2)OCCC
InChI
InChI=1S/C16H22N2O/c1-3-5-10-18-12-16(17-13-18)14-6-8-15(9-7-14)19-11-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey
XOUZYUHIXAUGRT-UHFFFAOYSA-N
Compound name
1-butyl-4-(4-propoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.1
[M+Na]+ 281.16244 176.5
[M+NH4]+ 276.20704 170.9
[M+K]+ 297.13638 170.0
[M-H]- 257.16594 166.1
[M+Na-2H]- 279.14789 170.5
[M]+ 258.17267 165.9
[M]- 258.17377 165.9
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.