CID 66480

1-amino-4-bromo-2-methylanthraquinone

Structural Information

Molecular Formula
C15H10BrNO2
SMILES
CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)Br
InChI
InChI=1S/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3
InChIKey
VIQMJMDPUIBXQO-UHFFFAOYSA-N
Compound name
1-amino-4-bromo-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

186
Patents

314.9895 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99678 158.7
[M+Na]+ 337.97872 164.2
[M+NH4]+ 333.02332 164.2
[M+K]+ 353.95266 162.8
[M-H]- 313.98222 161.1
[M+Na-2H]- 335.96417 161.4
[M]+ 314.98895 159.1
[M]- 314.99005 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe