CID 56438

92573-25-6

Structural Information

Molecular Formula
C17H12N2O4
SMILES
CNC(=O)C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H12N2O4/c1-18-16(22)17(23)19-12-8-4-7-11-13(12)15(21)10-6-3-2-5-9(10)14(11)20/h2-8H,1H3,(H,18,22)(H,19,23)
InChIKey
JAYVUJKPTWSQCN-UHFFFAOYSA-N
Compound name
N'-(9,10-dioxoanthracen-1-yl)-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 165.3
[M+Na]+ 331.06892 173.1
[M-H]- 307.07242 171.0
[M+NH4]+ 326.11352 181.5
[M+K]+ 347.04286 169.5
[M+H-H2O]+ 291.07696 157.9
[M+HCOO]- 353.07790 186.8
[M+CH3COO]- 367.09355 211.1
[M+Na-2H]- 329.05437 170.8
[M]+ 308.07915 165.7
[M]- 308.08025 165.7
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.