CID 363560

Nsc628524

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC(=O)C
InChI
InChI=1S/C17H13NO3/c1-9-7-8-13-14(15(9)18-10(2)19)17(21)12-6-4-3-5-11(12)16(13)20/h3-8H,1-2H3,(H,18,19)
InChIKey
LGEHJBUXJXWUHV-UHFFFAOYSA-N
Compound name
N-(2-methyl-9,10-dioxoanthracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 159.8
[M+Na]+ 302.07876 169.5
[M-H]- 278.08226 165.9
[M+NH4]+ 297.12336 178.1
[M+K]+ 318.05270 165.2
[M+H-H2O]+ 262.08680 152.9
[M+HCOO]- 324.08774 180.9
[M+CH3COO]- 338.10339 206.0
[M+Na-2H]- 300.06421 165.1
[M]+ 279.08899 161.4
[M]- 279.09009 161.4
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

No patent data available for this compound.