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 161.7
[M+Na]+ 322.04345 170.4
[M-H]- 298.04695 164.1
[M+NH4]+ 317.08805 172.2
[M+K]+ 338.01739 160.7
[M+H-H2O]+ 282.05149 157.5
[M+HCOO]- 344.05243 180.1
[M+CH3COO]- 358.06808 190.8
[M+Na-2H]- 320.02890 170.2
[M]+ 299.05368 159.2
[M]- 299.05478 159.2
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