CID 511930

Schembl6180133

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)N
InChI
InChI=1S/C18H14N2O2/c19-15-8-11-17(20-12-15)22-16-9-6-14(7-10-16)18(21)13-4-2-1-3-5-13/h1-12H,19H2
InChIKey
DJDXQEFMVOZLDN-UHFFFAOYSA-N
Compound name
[4-(5-aminopyridin-2-yl)oxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

290.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.9
[M+Na]+ 313.09475 173.8
[M-H]- 289.09825 174.8
[M+NH4]+ 308.13935 179.6
[M+K]+ 329.06869 168.7
[M+H-H2O]+ 273.10279 156.8
[M+HCOO]- 335.10373 189.8
[M+CH3COO]- 349.11938 178.0
[M+Na-2H]- 311.08020 172.2
[M]+ 290.10498 165.7
[M]- 290.10608 165.7
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.