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

50
Patents

251.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 154.2
[M+Na]+ 274.083858 165.5
[M-H]- 250.087364 160.3
[M+NH4]+ 269.128463 173.9
[M+K]+ 290.057798 160.4
[M+H-H2O]+ 234.091900 147.8
[M+HCOO]- 296.092841 175.6
[M+CH3COO]- 310.108491 202.0
[M+Na-2H]- 272.069306 159.2
[M]+ 251.09409142 154.8
[M]- 251.09518858 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

literature stripe

Patent stripe

patents stripe