CID 135665317

3-(3,4-dihydroxy-5-nitrophenyl)-2(1h)-quinoxalinone

Structural Information

Molecular Formula
C14H9N3O5
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O5/c18-11-6-7(5-10(13(11)19)17(21)22)12-14(20)16-9-4-2-1-3-8(9)15-12/h1-6,18-19H,(H,16,20)
InChIKey
YBLPKZOSNMBROT-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxy-5-nitrophenyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

299.05423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06151 162.6
[M+Na]+ 322.04345 178.2
[M+NH4]+ 317.08805 168.5
[M+K]+ 338.01739 175.4
[M-H]- 298.04695 165.7
[M+Na-2H]- 320.02890 169.1
[M]+ 299.05368 165.4
[M]- 299.05478 165.4
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

patents stripe