CID 9578684

3-phenyl-n-(phenylmethylene)-5-isoxazolamine

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C(C=C1)/C=N/C2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O/c1-3-7-13(8-4-1)12-17-16-11-15(18-19-16)14-9-5-2-6-10-14/h1-12H/b17-12+
InChIKey
IRBLOTOODGDQJT-SFQUDFHCSA-N
Compound name
(E)-1-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 156.4
[M+Na]+ 271.08418 172.4
[M+NH4]+ 266.12878 165.7
[M+K]+ 287.05812 165.2
[M-H]- 247.08768 164.9
[M+Na-2H]- 269.06963 168.4
[M]+ 248.09441 161.2
[M]- 248.09551 161.2
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.

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No patent data available for this compound.