CID 80851

6409-74-1

Structural Information

Molecular Formula
C21H13NO4
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H13NO4/c23-16-11-10-15(22-21(26)12-6-2-1-3-7-12)17-18(16)20(25)14-9-5-4-8-13(14)19(17)24/h1-11,23H,(H,22,26)
InChIKey
JTXHDKYIXSLUNZ-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

343.08447 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09175 176.5
[M+Na]+ 366.07369 184.8
[M-H]- 342.07719 184.0
[M+NH4]+ 361.11829 190.4
[M+K]+ 382.04763 179.2
[M+H-H2O]+ 326.08173 167.7
[M+HCOO]- 388.08267 195.9
[M+CH3COO]- 402.09832 187.1
[M+Na-2H]- 364.05914 181.6
[M]+ 343.08392 176.2
[M]- 343.08502 176.2
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