CID 49768625

Chembl3218664

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CCC1=C(N(C(=N1)C)CC)OC2=CC(=CC(=C2)C#N)Cl
InChI
InChI=1S/C15H16ClN3O/c1-4-14-15(19(5-2)10(3)18-14)20-13-7-11(9-17)6-12(16)8-13/h6-8H,4-5H2,1-3H3
InChIKey
JKQHGSBFGUYZMB-UHFFFAOYSA-N
Compound name
3-chloro-5-(3,5-diethyl-2-methylimidazol-4-yl)oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.09818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10546 163.6
[M+Na]+ 312.08740 176.3
[M-H]- 288.09090 166.7
[M+NH4]+ 307.13200 178.0
[M+K]+ 328.06134 169.8
[M+H-H2O]+ 272.09544 148.9
[M+HCOO]- 334.09638 177.8
[M+CH3COO]- 348.11203 212.8
[M+Na-2H]- 310.07285 164.2
[M]+ 289.09763 163.9
[M]- 289.09873 163.9
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.