CID 88253

19795-96-1

Structural Information

Molecular Formula
C21H13NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C21H13NO4/c23-19-12-6-1-2-7-13(12)20(24)18-15(19)9-5-11-17(18)22-16-10-4-3-8-14(16)21(25)26/h1-11,22H,(H,25,26)
InChIKey
BXSCARJCEFJTJZ-UHFFFAOYSA-N
Compound name
2-[(9,10-dioxoanthracen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

343.08447 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.091746 176.2
[M+Na]+ 366.073688 184.4
[M-H]- 342.077194 183.6
[M+NH4]+ 361.118293 190.1
[M+K]+ 382.047628 178.9
[M+H-H2O]+ 326.081730 167.4
[M+HCOO]- 388.082671 195.6
[M+CH3COO]- 402.098321 186.8
[M+Na-2H]- 364.059136 181.3
[M]+ 343.08392142 176.0
[M]- 343.08501858 176.0
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