CID 49768624

Chembl3218665

Structural Information

Molecular Formula
C16H16N4O
SMILES
CCC1=C(N(C(=N1)C)CC)OC2=CC(=CC(=C2)C#N)C#N
InChI
InChI=1S/C16H16N4O/c1-4-15-16(20(5-2)11(3)19-15)21-14-7-12(9-17)6-13(8-14)10-18/h6-8H,4-5H2,1-3H3
InChIKey
QZUHMCRHYOVMSA-UHFFFAOYSA-N
Compound name
5-(3,5-diethyl-2-methylimidazol-4-yl)oxybenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.13242 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 166.6
[M+Na]+ 303.12164 177.1
[M-H]- 279.12514 168.9
[M+NH4]+ 298.16624 176.3
[M+K]+ 319.09558 172.2
[M+H-H2O]+ 263.12968 148.8
[M+HCOO]- 325.13062 177.6
[M+CH3COO]- 339.14627 228.3
[M+Na-2H]- 301.10709 165.7
[M]+ 280.13187 160.8
[M]- 280.13297 160.8
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.