CID 3007478

Chembl26416

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C=C(C1=CC=CC=C1OCCOC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C19H18N2O2/c1-16(21-12-11-20-15-21)18-9-5-6-10-19(18)23-14-13-22-17-7-3-2-4-8-17/h2-12,15H,1,13-14H2
InChIKey
AGMQLGWORLKKKL-UHFFFAOYSA-N
Compound name
1-[1-[2-(2-phenoxyethoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.1
[M+Na]+ 329.12606 178.4
[M-H]- 305.12956 178.8
[M+NH4]+ 324.17066 185.0
[M+K]+ 345.10000 173.5
[M+H-H2O]+ 289.13410 161.6
[M+HCOO]- 351.13504 193.8
[M+CH3COO]- 365.15069 182.8
[M+Na-2H]- 327.11151 175.2
[M]+ 306.13629 173.8
[M]- 306.13739 173.8
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.