CID 9574954

Schembl14198075

Structural Information

Molecular Formula
C20H18N4O
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/N=C(/C3=CC=CC=N3)\N
InChI
InChI=1S/C20H18N4O/c21-20(18-11-6-7-13-22-18)24-23-14-17-10-4-5-12-19(17)25-15-16-8-2-1-3-9-16/h1-14H,15H2,(H2,21,24)/b23-14+
InChIKey
CZHFOTJAAQHMME-OEAKJJBVSA-N
Compound name
N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

330.14807 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 177.7
[M+Na]+ 353.13729 182.4
[M-H]- 329.14079 187.4
[M+NH4]+ 348.18189 189.2
[M+K]+ 369.11123 177.3
[M+H-H2O]+ 313.14533 165.9
[M+HCOO]- 375.14627 204.9
[M+CH3COO]- 389.16192 218.9
[M+Na-2H]- 351.12274 184.7
[M]+ 330.14752 176.8
[M]- 330.14862 176.8
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.