CID 3912165

313368-19-3

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]+ 308.128126 169.9
[M+Na]+ 330.110068 178.2
[M-H]- 306.113574 175.5
[M+NH4]+ 325.154673 186.9
[M+K]+ 346.084008 174.0
[M+H-H2O]+ 290.118110 163.1
[M+HCOO]- 352.119051 188.7
[M+CH3COO]- 366.134701 210.4
[M+Na-2H]- 328.095516 175.7
[M]+ 307.12030142 171.1
[M]- 307.12139858 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.