CID 3059820

1,4-acridinedione, 3-bromo-2-methoxy-

Structural Information

Molecular Formula
C14H8BrNO3
SMILES
COC1=C(C(=O)C2=NC3=CC=CC=C3C=C2C1=O)Br
InChI
InChI=1S/C14H8BrNO3/c1-19-14-10(15)13(18)11-8(12(14)17)6-7-4-2-3-5-9(7)16-11/h2-6H,1H3
InChIKey
VBSQGPMTEQVKDH-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxyacridine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.96875 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.97603 159.3
[M+Na]+ 339.95797 173.2
[M-H]- 315.96147 166.6
[M+NH4]+ 335.00257 178.6
[M+K]+ 355.93191 161.7
[M+H-H2O]+ 299.96601 158.3
[M+HCOO]- 361.96695 177.4
[M+CH3COO]- 375.98260 204.0
[M+Na-2H]- 337.94342 167.3
[M]+ 316.96820 180.6
[M]- 316.96930 180.6
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

No patent data available for this compound.