CID 80953

6471-02-9

Structural Information

Molecular Formula
C16H12N2O3
SMILES
CC(=O)NC1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12N2O3/c1-8(19)18-12-7-6-11(17)13-14(12)16(21)10-5-3-2-4-9(10)15(13)20/h2-7H,17H2,1H3,(H,18,19)
InChIKey
WUTYQBPQNVVTGI-UHFFFAOYSA-N
Compound name
N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

280.08478 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 159.8
[M+Na]+ 303.073998 169.1
[M-H]- 279.077504 165.4
[M+NH4]+ 298.118603 177.4
[M+K]+ 319.047938 164.7
[M+H-H2O]+ 263.082040 152.8
[M+HCOO]- 325.082981 181.6
[M+CH3COO]- 339.098631 207.7
[M+Na-2H]- 301.059446 165.0
[M]+ 280.08423142 159.4
[M]- 280.08532858 159.4
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