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

46
Patents

280.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 160.8
[M+Na]+ 303.07400 170.9
[M-H]- 279.07750 166.3
[M+NH4]+ 298.11860 178.4
[M+K]+ 319.04794 166.4
[M+H-H2O]+ 263.08204 154.1
[M+HCOO]- 325.08298 181.9
[M+CH3COO]- 339.09863 209.3
[M+Na-2H]- 301.05945 164.2
[M]+ 280.08423 159.9
[M]- 280.08533 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