CID 5483699

9,10-anthracenedione, 1-amino-4-[(2,4-dinitrophenyl)amino]-

Structural Information

Molecular Formula
C20H12N4O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C20H12N4O6/c21-13-6-8-15(22-14-7-5-10(23(27)28)9-16(14)24(29)30)18-17(13)19(25)11-3-1-2-4-12(11)20(18)26/h1-9,22H,21H2
InChIKey
WYDBWQFSXBDNFU-UHFFFAOYSA-N
Compound name
1-amino-4-(2,4-dinitroanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.07568 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08296 186.6
[M+Na]+ 427.06490 190.7
[M-H]- 403.06840 194.1
[M+NH4]+ 422.10950 195.3
[M+K]+ 443.03884 178.4
[M+H-H2O]+ 387.07294 185.0
[M+HCOO]- 449.07388 208.6
[M+CH3COO]- 463.08953 219.2
[M+Na-2H]- 425.05035 195.4
[M]+ 404.07513 182.4
[M]- 404.07623 182.4
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

No patent data available for this compound.