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 154.7
[M+Na]+ 271.08418 162.8
[M-H]- 247.08768 165.2
[M+NH4]+ 266.12878 170.8
[M+K]+ 287.05812 159.4
[M+H-H2O]+ 231.09222 145.5
[M+HCOO]- 293.09316 181.3
[M+CH3COO]- 307.10881 168.1
[M+Na-2H]- 269.06963 162.2
[M]+ 248.09441 155.9
[M]- 248.09551 155.9
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.