CID 87424

9,10-anthracenedione, 1,4-bis[(2-bromo-4,6-dimethylphenyl)amino]-

Structural Information

Molecular Formula
C30H24Br2N2O2
SMILES
CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4Br)C)C)C(=O)C5=CC=CC=C5C3=O)C
InChI
InChI=1S/C30H24Br2N2O2/c1-15-11-17(3)27(21(31)13-15)33-23-9-10-24(34-28-18(4)12-16(2)14-22(28)32)26-25(23)29(35)19-7-5-6-8-20(19)30(26)36/h5-14,33-34H,1-4H3
InChIKey
FKLIVBYKZWBUHT-UHFFFAOYSA-N
Compound name
1,4-bis(2-bromo-4,6-dimethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

602.02045 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.02773 221.0
[M+Na]+ 625.00967 229.0
[M-H]- 601.01317 232.5
[M+NH4]+ 620.05427 230.6
[M+K]+ 640.98361 213.6
[M+H-H2O]+ 585.01771 223.7
[M+HCOO]- 647.01865 232.5
[M+CH3COO]- 661.03430 229.3
[M+Na-2H]- 622.99512 220.4
[M]+ 602.01990 254.4
[M]- 602.02100 254.4
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

patents stripe