CID 5483699

14449-97-9

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 191.2
[M+Na]+ 427.06490 205.7
[M+NH4]+ 422.10950 197.5
[M+K]+ 443.03884 203.8
[M-H]- 403.06840 199.1
[M+Na-2H]- 425.05035 196.6
[M]+ 404.07513 195.1
[M]- 404.07623 195.1
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.