CID 458833

1-amino-2-bromo-4-(methylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C15H11BrN2O2
SMILES
CNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br
InChI
InChI=1S/C15H11BrN2O2/c1-18-10-6-9(16)13(17)12-11(10)14(19)7-4-2-3-5-8(7)15(12)20/h2-6,18H,17H2,1H3
InChIKey
QVVISJSFRWSPSI-UHFFFAOYSA-N
Compound name
1-amino-2-bromo-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.0004 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00768 165.3
[M+Na]+ 352.98962 177.8
[M-H]- 328.99312 173.1
[M+NH4]+ 348.03422 184.5
[M+K]+ 368.96356 164.8
[M+H-H2O]+ 312.99766 163.6
[M+HCOO]- 374.99860 185.0
[M+CH3COO]- 389.01425 212.5
[M+Na-2H]- 350.97507 171.5
[M]+ 329.99985 182.9
[M]- 330.00095 182.9
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