CID 80770

6374-83-0

Structural Information

Molecular Formula
C17H12BrNO3
SMILES
CC(=O)N(C)C1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H12BrNO3/c1-9(20)19(2)13-8-7-12(18)14-15(13)17(22)11-6-4-3-5-10(11)16(14)21/h3-8H,1-2H3
InChIKey
CHXMYKHJNWOGGP-UHFFFAOYSA-N
Compound name
N-(4-bromo-9,10-dioxoanthracen-1-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

357.00006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.007336 171.1
[M+Na]+ 379.989278 182.8
[M-H]- 355.992784 180.4
[M+NH4]+ 375.033883 190.1
[M+K]+ 395.963218 171.9
[M+H-H2O]+ 339.997320 169.6
[M+HCOO]- 401.998261 189.9
[M+CH3COO]- 416.013911 217.2
[M+Na-2H]- 377.974726 176.0
[M]+ 356.99951142 191.8
[M]- 357.00060858 191.8
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