CID 374712

Nsc652898

Structural Information

Molecular Formula
C22H15NO3
SMILES
CN(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H15NO3/c1-23(22(26)14-7-3-2-4-8-14)15-11-12-18-19(13-15)21(25)17-10-6-5-9-16(17)20(18)24/h2-13H,1H3
InChIKey
LNOQVWKCKYDUIJ-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-2-yl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11248 178.0
[M+Na]+ 364.09442 185.6
[M-H]- 340.09792 187.6
[M+NH4]+ 359.13902 193.1
[M+K]+ 380.06836 181.1
[M+H-H2O]+ 324.10246 168.4
[M+HCOO]- 386.10340 198.9
[M+CH3COO]- 400.11905 189.2
[M+Na-2H]- 362.07987 182.7
[M]+ 341.10465 179.0
[M]- 341.10575 179.0
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

patents stripe