CID 66478

81-44-7

Structural Information

Molecular Formula
C21H12BrNO3
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Br)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H12BrNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)
InChIKey
JKRCBOYQTINLRS-UHFFFAOYSA-N
Compound name
N-(4-bromo-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

405.00006 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.00734 186.2
[M+Na]+ 427.98928 196.8
[M-H]- 403.99278 196.7
[M+NH4]+ 423.03388 201.9
[M+K]+ 443.96322 184.2
[M+H-H2O]+ 387.99732 183.5
[M+HCOO]- 449.99826 204.2
[M+CH3COO]- 464.01391 198.2
[M+Na-2H]- 425.97473 191.6
[M]+ 404.99951 204.4
[M]- 405.00061 204.4
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