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

literature stripe

Patent stripe

patents stripe