CID 87424

18038-99-8

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 209.1
[M+Na]+ 625.00967 207.0
[M+NH4]+ 620.05427 210.8
[M+K]+ 640.98361 209.8
[M-H]- 601.01317 213.9
[M+Na-2H]- 622.99512 210.4
[M]+ 602.01990 209.4
[M]- 602.02100 209.4
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