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: 188
Patents: 314.9895 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.99678	162.1
[M+Na]+	337.97872	175.7
[M-H]-	313.98222	170.3
[M+NH4]+	333.02332	182.5
[M+K]+	353.95266	163.0
[M+H-H2O]+	297.98676	161.4
[M+HCOO]-	359.98770	181.1
[M+CH3COO]-	374.00335	176.5
[M+Na-2H]-	335.96417	168.1
[M]+	314.98895	180.6
[M]-	314.99005	180.6

Literature stripe

literature stripe

Patent stripe

patents stripe