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

15
Patents

357.00006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.00734 171.1
[M+Na]+ 379.98928 182.8
[M-H]- 355.99278 180.4
[M+NH4]+ 375.03388 190.1
[M+K]+ 395.96322 171.9
[M+H-H2O]+ 339.99732 169.6
[M+HCOO]- 401.99826 189.9
[M+CH3COO]- 416.01391 217.2
[M+Na-2H]- 377.97473 176.0
[M]+ 356.99951 191.8
[M]- 357.00061 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