CID 88094

19500-94-8

Structural Information

Molecular Formula
C16H12N2O3
SMILES
CC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C16H12N2O3/c1-7(19)10-6-11(17)12-13(14(10)18)16(21)9-5-3-2-4-8(9)15(12)20/h2-6H,17-18H2,1H3
InChIKey
GUUWHMTVVVFXIF-UHFFFAOYSA-N
Compound name
2-acetyl-1,4-diaminoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

280.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 160.8
[M+Na]+ 303.073998 170.9
[M-H]- 279.077504 166.3
[M+NH4]+ 298.118603 178.4
[M+K]+ 319.047938 166.4
[M+H-H2O]+ 263.082040 154.1
[M+HCOO]- 325.082981 181.9
[M+CH3COO]- 339.098631 209.3
[M+Na-2H]- 301.059446 164.2
[M]+ 280.08423142 159.9
[M]- 280.08532858 159.9
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