CID 369839

4-(2-benzoyl-4-chloroanilino)-1,2-naphthalenedione

Structural Information

Molecular Formula
C23H14ClNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC3=CC(=O)C(=O)C4=CC=CC=C43
InChI
InChI=1S/C23H14ClNO3/c24-15-10-11-19(18(12-15)22(27)14-6-2-1-3-7-14)25-20-13-21(26)23(28)17-9-5-4-8-16(17)20/h1-13,25H
InChIKey
FAXCSOIHOXMRFK-UHFFFAOYSA-N
Compound name
4-(2-benzoyl-4-chloroanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.06622 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.07350 189.8
[M+Na]+ 410.05544 198.6
[M-H]- 386.05894 200.4
[M+NH4]+ 405.10004 202.2
[M+K]+ 426.02938 191.3
[M+H-H2O]+ 370.06348 180.4
[M+HCOO]- 432.06442 207.0
[M+CH3COO]- 446.08007 200.2
[M+Na-2H]- 408.04089 192.7
[M]+ 387.06567 191.8
[M]- 387.06677 191.8
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.