CID 192635

2-phenyl-8-ethoxycycloheptimidazole

Structural Information

Molecular Formula
C16H14N2O
SMILES
CCOC1=CC=CC=C2C1=NC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c1-2-19-14-11-7-6-10-13-15(14)18-16(17-13)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
OULXFNCZTZKFKS-UHFFFAOYSA-N
Compound name
4-ethoxy-2-phenylcyclohepta[d]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

175
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.1
[M+Na]+ 273.099828 165.0
[M-H]- 249.103334 163.0
[M+NH4]+ 268.144433 172.6
[M+K]+ 289.073768 164.1
[M+H-H2O]+ 233.107870 148.2
[M+HCOO]- 295.108811 178.8
[M+CH3COO]- 309.124461 168.7
[M+Na-2H]- 271.085276 162.4
[M]+ 250.11006142 156.9
[M]- 250.11115858 156.9
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

patents stripe