CID 854082

2-phenoxy-4-(phenylamino)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C18H13N3O
SMILES
C1=CC=C(C=C1)NC2=C(C(=NC=C2)OC3=CC=CC=C3)C#N
InChI
InChI=1S/C18H13N3O/c19-13-16-17(21-14-7-3-1-4-8-14)11-12-20-18(16)22-15-9-5-2-6-10-15/h1-12H,(H,20,21)
InChIKey
JWJFQDGLIHDGJE-UHFFFAOYSA-N
Compound name
4-anilino-2-phenoxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.10587 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11315 170.9
[M+Na]+ 310.09509 180.2
[M-H]- 286.09859 176.5
[M+NH4]+ 305.13969 182.2
[M+K]+ 326.06903 172.5
[M+H-H2O]+ 270.10313 154.3
[M+HCOO]- 332.10407 190.6
[M+CH3COO]- 346.11972 180.2
[M+Na-2H]- 308.08054 176.7
[M]+ 287.10532 164.8
[M]- 287.10642 164.8
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.