CID 4269884

90466-58-3

Structural Information

Molecular Formula
C18H15NO3
SMILES
CCCC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15NO3/c1-2-6-15(20)19-14-10-5-9-13-16(14)18(22)12-8-4-3-7-11(12)17(13)21/h3-5,7-10H,2,6H2,1H3,(H,19,20)
InChIKey
SPBRUNBZOQIJBX-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 164.7
[M+Na]+ 316.09442 173.0
[M-H]- 292.09792 170.1
[M+NH4]+ 311.13902 182.0
[M+K]+ 332.06836 168.3
[M+H-H2O]+ 276.10246 157.3
[M+HCOO]- 338.10340 185.4
[M+CH3COO]- 352.11905 207.7
[M+Na-2H]- 314.07987 170.0
[M]+ 293.10465 166.0
[M]- 293.10575 166.0
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.