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 162.2
[M+Na]+ 281.16244 169.7
[M-H]- 257.16594 166.0
[M+NH4]+ 276.20704 178.4
[M+K]+ 297.13638 165.8
[M+H-H2O]+ 241.17048 153.2
[M+HCOO]- 303.17142 184.3
[M+CH3COO]- 317.18707 197.5
[M+Na-2H]- 279.14789 165.1
[M]+ 258.17267 166.0
[M]- 258.17377 166.0
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.