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]+ 317.07683 166.0
[M+Na]+ 339.05877 169.5
[M-H]- 315.06227 169.9
[M+NH4]+ 334.10337 176.8
[M+K]+ 355.03271 163.1
[M+H-H2O]+ 299.06681 162.5
[M+HCOO]- 361.06775 187.1
[M+CH3COO]- 375.08340 196.9
[M+Na-2H]- 337.04422 169.7
[M]+ 316.06900 162.7
[M]- 316.07010 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.