CID 363753

1-amino-2,3-dimethylanthracene-9,10-dione

Structural Information

Molecular Formula
C16H13NO2
SMILES
CC1=CC2=C(C(=C1C)N)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H13NO2/c1-8-7-12-13(14(17)9(8)2)16(19)11-6-4-3-5-10(11)15(12)18/h3-7H,17H2,1-2H3
InChIKey
QNLBFFTVWDTZNQ-UHFFFAOYSA-N
Compound name
1-amino-2,3-dimethylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

251.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 154.2
[M+Na]+ 274.08386 165.5
[M-H]- 250.08736 160.3
[M+NH4]+ 269.12846 173.9
[M+K]+ 290.05780 160.4
[M+H-H2O]+ 234.09190 147.8
[M+HCOO]- 296.09284 175.6
[M+CH3COO]- 310.10849 202.0
[M+Na-2H]- 272.06931 159.2
[M]+ 251.09409 154.8
[M]- 251.09519 154.8
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

No patent data available for this compound.