CID 3039037

Brn 3008893

Structural Information

Molecular Formula
C15H12N2O6
SMILES
C1=CC=C(C(=C1)C(=O)NC(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)O
InChI
InChI=1S/C15H12N2O6/c18-12-4-2-1-3-11(12)14(20)16-15(21)13(19)9-5-7-10(8-6-9)17(22)23/h1-8,15,18,21H,(H,16,20)
InChIKey
HNPUENANGKHAKF-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[1-hydroxy-2-(4-nitrophenyl)-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06955 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.076826 166.0
[M+Na]+ 339.058768 169.5
[M-H]- 315.062274 169.9
[M+NH4]+ 334.103373 176.8
[M+K]+ 355.032708 163.1
[M+H-H2O]+ 299.066810 162.5
[M+HCOO]- 361.067751 187.1
[M+CH3COO]- 375.083401 196.9
[M+Na-2H]- 337.044216 169.7
[M]+ 316.06900142 162.7
[M]- 316.07009858 162.7
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.