CID 74064

1564-71-2

Structural Information

Molecular Formula
C20H13BrN2O2
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br
InChI
InChI=1S/C20H13BrN2O2/c21-14-10-15(23-11-6-2-1-3-7-11)16-17(18(14)22)20(25)13-9-5-4-8-12(13)19(16)24/h1-10,23H,22H2
InChIKey
BMIJUARACLJZMP-UHFFFAOYSA-N
Compound name
1-amino-4-anilino-2-bromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

392.01605 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.02333 183.9
[M+Na]+ 415.00527 195.1
[M-H]- 391.00877 194.2
[M+NH4]+ 410.04987 200.0
[M+K]+ 430.97921 181.6
[M+H-H2O]+ 375.01331 180.8
[M+HCOO]- 437.01425 203.1
[M+CH3COO]- 451.02990 196.0
[M+Na-2H]- 412.99072 189.7
[M]+ 392.01550 200.6
[M]- 392.01660 200.6
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