CID 104002

51889-17-9

Structural Information

Molecular Formula
C20H12Br2N2O4
SMILES
C1=CC(=C(C=C1Br)Br)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)N
InChI
InChI=1S/C20H12Br2N2O4/c21-8-1-3-11(9(22)7-8)24-12-4-6-14(26)18-16(12)20(28)17-13(25)5-2-10(23)15(17)19(18)27/h1-7,24-26H,23H2
InChIKey
ROMDDSWHQOFEBB-UHFFFAOYSA-N
Compound name
1-amino-5-(2,4-dibromoanilino)-4,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

501.91638 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.92366 188.3
[M+Na]+ 524.90560 197.0
[M-H]- 500.90910 195.8
[M+NH4]+ 519.95020 199.9
[M+K]+ 540.87954 181.2
[M+H-H2O]+ 484.91364 192.6
[M+HCOO]- 546.91458 199.4
[M+CH3COO]- 560.93023 197.9
[M+Na-2H]- 522.89105 190.7
[M]+ 501.91583 220.0
[M]- 501.91693 220.0
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