CID 218234

Verbindungen 340 [german]

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCCCN1C=C(N=C1)C2=CC=C(C=C2)OCCCC
InChI
InChI=1S/C17H24N2O/c1-3-5-11-19-13-17(18-14-19)15-7-9-16(10-8-15)20-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey
XDOOETKOYLHZRJ-UHFFFAOYSA-N
Compound name
4-(4-butoxyphenyl)-1-butylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.8
[M+Na]+ 295.17809 173.8
[M-H]- 271.18159 170.3
[M+NH4]+ 290.22269 182.4
[M+K]+ 311.15203 169.6
[M+H-H2O]+ 255.18613 157.5
[M+HCOO]- 317.18707 188.5
[M+CH3COO]- 331.20272 200.5
[M+Na-2H]- 293.16354 169.1
[M]+ 272.18832 170.9
[M]- 272.18942 170.9
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.