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

literature stripe

Patent stripe

patents stripe