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

3
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

literature stripe

Patent stripe

patents stripe