CID 89984

23060-42-6

Structural Information

Molecular Formula
C21H16N2O3
SMILES
COC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H16N2O3/c1-26-13-8-6-12(7-9-13)23-17-11-10-16(22)18-19(17)21(25)15-5-3-2-4-14(15)20(18)24/h2-11,23H,22H2,1H3
InChIKey
MMFCPKYGMSQKCQ-UHFFFAOYSA-N
Compound name
1-amino-4-(4-methoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

344.1161 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12338 180.5
[M+Na]+ 367.10532 196.0
[M+NH4]+ 362.14992 189.0
[M+K]+ 383.07926 187.2
[M-H]- 343.10882 187.3
[M+Na-2H]- 365.09077 188.3
[M]+ 344.11555 184.7
[M]- 344.11665 184.7
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