CID 3034286

141399-59-9

Structural Information

Molecular Formula
C18H11BrN2O3
SMILES
CN(C1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3C2=O)C(=O)CC#N
InChI
InChI=1S/C18H11BrN2O3/c1-21(14(22)8-9-20)13-7-6-12(19)15-16(13)18(24)11-5-3-2-4-10(11)17(15)23/h2-7H,8H2,1H3
InChIKey
IXMSAEUVILDDHT-UHFFFAOYSA-N
Compound name
N-(4-bromo-9,10-dioxoanthracen-1-yl)-2-cyano-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

381.9953 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00258 181.3
[M+Na]+ 404.98452 195.0
[M-H]- 380.98802 187.7
[M+NH4]+ 400.02912 197.1
[M+K]+ 420.95846 180.9
[M+H-H2O]+ 364.99256 173.1
[M+HCOO]- 426.99350 198.5
[M+CH3COO]- 441.00915 228.8
[M+Na-2H]- 402.96997 184.7
[M]+ 381.99475 194.9
[M]- 381.99585 194.9
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

No patent data available for this compound.