CID 3912165

N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC(C)(C)C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-14-10-6-9-13-15(14)17(22)12-8-5-4-7-11(12)16(13)21/h4-10H,1-3H3,(H,20,23)
InChIKey
FWWDLTFRYDXUIY-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 169.9
[M+Na]+ 330.11007 178.2
[M-H]- 306.11357 175.5
[M+NH4]+ 325.15467 186.9
[M+K]+ 346.08401 174.0
[M+H-H2O]+ 290.11811 163.1
[M+HCOO]- 352.11905 188.7
[M+CH3COO]- 366.13470 210.4
[M+Na-2H]- 328.09552 175.7
[M]+ 307.12030 171.1
[M]- 307.12140 171.1
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.