CID 49768630

5-(3-ethyl-2-methyl-5-propyl-imidazol-4-yl)oxybenzene-1,3-dicarbonitrile

Structural Information

Molecular Formula
C17H18N4O
SMILES
CCCC1=C(N(C(=N1)C)CC)OC2=CC(=CC(=C2)C#N)C#N
InChI
InChI=1S/C17H18N4O/c1-4-6-16-17(21(5-2)12(3)20-16)22-15-8-13(10-18)7-14(9-15)11-19/h7-9H,4-6H2,1-3H3
InChIKey
MPBOCLIKUYHIDI-UHFFFAOYSA-N
Compound name
5-(3-ethyl-2-methyl-5-propylimidazol-4-yl)oxybenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.155346 169.2
[M+Na]+ 317.137288 179.5
[M-H]- 293.140794 171.4
[M+NH4]+ 312.181893 178.6
[M+K]+ 333.111228 174.3
[M+H-H2O]+ 277.145330 151.3
[M+HCOO]- 339.146271 180.0
[M+CH3COO]- 353.161921 230.2
[M+Na-2H]- 315.122736 168.0
[M]+ 294.14752142 163.6
[M]- 294.14861858 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.