CID 3008891

Chembl328096

Structural Information

Molecular Formula
C21H20N2O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)COC3=CC=CC(=C3)C(=N)N
InChI
InChI=1S/C21H20N2O2/c22-21(23)18-7-4-8-20(13-18)25-15-17-9-11-19(12-10-17)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H3,22,23)
InChIKey
UVJANBPFRCYQJB-UHFFFAOYSA-N
Compound name
3-[(4-phenylmethoxyphenyl)methoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.15247 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15975 179.0
[M+Na]+ 355.14169 183.7
[M-H]- 331.14519 187.7
[M+NH4]+ 350.18629 190.9
[M+K]+ 371.11563 178.3
[M+H-H2O]+ 315.14973 168.9
[M+HCOO]- 377.15067 203.2
[M+CH3COO]- 391.16632 214.8
[M+Na-2H]- 353.12714 183.0
[M]+ 332.15192 177.6
[M]- 332.15302 177.6
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.