CID 33784

Einecs 248-417-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
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 178.9
[M+Na]+ 367.10532 187.9
[M-H]- 343.10882 187.4
[M+NH4]+ 362.14992 193.4
[M+K]+ 383.07926 182.2
[M+H-H2O]+ 327.11336 169.6
[M+HCOO]- 389.11430 200.8
[M+CH3COO]- 403.12995 189.9
[M+Na-2H]- 365.09077 184.2
[M]+ 344.11555 179.2
[M]- 344.11665 179.2
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