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

45
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 161.4
[M+Na]+ 303.07400 174.4
[M+NH4]+ 298.11860 169.0
[M+K]+ 319.04794 168.3
[M-H]- 279.07750 164.8
[M+Na-2H]- 301.05945 165.6
[M]+ 280.08423 164.0
[M]- 280.08533 164.0
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