CID 367785

4-(2-benzoylanilino)-1,2-naphthalenedione

Structural Information

Molecular Formula
C23H15NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43
InChI
InChI=1S/C23H15NO3/c25-21-14-20(16-10-4-5-11-17(16)23(21)27)24-19-13-7-6-12-18(19)22(26)15-8-2-1-3-9-15/h1-14,24H
InChIKey
RGLSDDNPRPVLMO-UHFFFAOYSA-N
Compound name
4-(2-benzoylanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1052 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11248 182.3
[M+Na]+ 376.09442 189.3
[M-H]- 352.09792 192.7
[M+NH4]+ 371.13902 194.8
[M+K]+ 392.06836 183.3
[M+H-H2O]+ 336.10246 172.0
[M+HCOO]- 398.10340 204.0
[M+CH3COO]- 412.11905 192.8
[M+Na-2H]- 374.07987 186.4
[M]+ 353.10465 181.2
[M]- 353.10575 181.2
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.