CID 218236

Verbindungen 342 [german]

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCCN1C=C(N=C1)C2=CC=C(C=C2)OCCC(C)C
InChI
InChI=1S/C18H26N2O/c1-4-5-11-20-13-18(19-14-20)16-6-8-17(9-7-16)21-12-10-15(2)3/h6-9,13-15H,4-5,10-12H2,1-3H3
InChIKey
YVQUIRJNMWJSDH-UHFFFAOYSA-N
Compound name
1-butyl-4-[4-(3-methylbutoxy)phenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 171.7
[M+Na]+ 309.19372 178.1
[M-H]- 285.19722 175.3
[M+NH4]+ 304.23832 186.7
[M+K]+ 325.16766 174.1
[M+H-H2O]+ 269.20176 162.5
[M+HCOO]- 331.20270 192.1
[M+CH3COO]- 345.21835 204.3
[M+Na-2H]- 307.17917 172.4
[M]+ 286.20395 175.6
[M]- 286.20505 175.6
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.