CID 3059720

77065-62-4

Structural Information

Molecular Formula
C12H9N3O4
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)O)N=NC(=O)C(=O)N
InChI
InChI=1S/C12H9N3O4/c13-11(18)12(19)15-14-8-5-9(16)10(17)7-4-2-1-3-6(7)8/h1-5,16-17H,(H2,13,18)
InChIKey
CIGSRSIEFVZQDJ-UHFFFAOYSA-N
Compound name
N'-(3,4-dihydroxynaphthalen-1-yl)iminooxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06658 152.5
[M+Na]+ 282.04852 160.3
[M-H]- 258.05202 157.4
[M+NH4]+ 277.09312 169.3
[M+K]+ 298.02246 158.5
[M+H-H2O]+ 242.05656 145.4
[M+HCOO]- 304.05750 177.8
[M+CH3COO]- 318.07315 202.1
[M+Na-2H]- 280.03397 158.2
[M]+ 259.05875 152.5
[M]- 259.05985 152.5
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.