CID 104712

54243-60-6

Structural Information

Molecular Formula
C21H15NO5
SMILES
COC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C21H15NO5/c1-26-11-6-8-12(9-7-11)27-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3
InChIKey
BGIJPDMVGSTDDJ-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(4-methoxyphenoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

35
Patents

361.09503 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10231 182.2
[M+Na]+ 384.08425 192.0
[M-H]- 360.08775 189.8
[M+NH4]+ 379.12885 195.7
[M+K]+ 400.05819 187.2
[M+H-H2O]+ 344.09229 173.2
[M+HCOO]- 406.09323 201.8
[M+CH3COO]- 420.10888 219.1
[M+Na-2H]- 382.06970 186.1
[M]+ 361.09448 184.6
[M]- 361.09558 184.6
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