CID 135456534

1,3-diphenyl-1,2,3-propanetrione 2-oxime

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)/C(=C(/C(=O)C2=CC=CC=C2)\N=O)/O
InChI
InChI=1S/C15H11NO3/c17-14(11-7-3-1-4-8-11)13(16-19)15(18)12-9-5-2-6-10-12/h1-10,17H/b14-13+
InChIKey
ADFQIYCDAFJWMW-BUHFOSPRSA-N
Compound name
(E)-3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.0739 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 155.7
[M+Na]+ 276.06312 160.8
[M-H]- 252.06662 162.1
[M+NH4]+ 271.10772 171.3
[M+K]+ 292.03706 158.1
[M+H-H2O]+ 236.07116 147.7
[M+HCOO]- 298.07210 179.0
[M+CH3COO]- 312.08775 195.6
[M+Na-2H]- 274.04857 160.0
[M]+ 253.07335 154.6
[M]- 253.07445 154.6
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.