CID 78237

4486-13-9

Structural Information

Molecular Formula
C16H13N3O3
SMILES
CNC1=C2C(=C(C(=C1)C(=O)N)N)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H13N3O3/c1-19-10-6-9(16(18)22)13(17)12-11(10)14(20)7-4-2-3-5-8(7)15(12)21/h2-6,19H,17H2,1H3,(H2,18,22)
InChIKey
VJMCKXPFVWESHW-UHFFFAOYSA-N
Compound name
1-amino-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.0957 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.102976 164.1
[M+Na]+ 318.084918 173.3
[M-H]- 294.088424 169.4
[M+NH4]+ 313.129523 180.6
[M+K]+ 334.058858 168.9
[M+H-H2O]+ 278.092960 157.0
[M+HCOO]- 340.093901 186.1
[M+CH3COO]- 354.109551 214.7
[M+Na-2H]- 316.070366 168.0
[M]+ 295.09515142 162.6
[M]- 295.09624858 162.6
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