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]+ 295.15535 169.2
[M+Na]+ 317.13729 179.5
[M-H]- 293.14079 171.4
[M+NH4]+ 312.18189 178.6
[M+K]+ 333.11123 174.3
[M+H-H2O]+ 277.14533 151.3
[M+HCOO]- 339.14627 180.0
[M+CH3COO]- 353.16192 230.2
[M+Na-2H]- 315.12274 168.0
[M]+ 294.14752 163.6
[M]- 294.14862 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.