CID 88430

9,10-anthracenedione, 1-amino-4,5-dihydroxy-8-(phenylamino)-

Structural Information

Molecular Formula
C20H14N2O4
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)N)O
InChI
InChI=1S/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)16-12(22-10-4-2-1-3-5-10)7-9-14(24)18(16)20(17)26/h1-9,22-24H,21H2
InChIKey
PPGISMVFVBBTGY-UHFFFAOYSA-N
Compound name
1-amino-8-anilino-4,5-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

346.09537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 177.5
[M+Na]+ 369.08459 186.8
[M-H]- 345.08809 183.9
[M+NH4]+ 364.12919 190.8
[M+K]+ 385.05853 180.8
[M+H-H2O]+ 329.09263 169.2
[M+HCOO]- 391.09357 196.9
[M+CH3COO]- 405.10922 187.9
[M+Na-2H]- 367.07004 182.1
[M]+ 346.09482 176.0
[M]- 346.09592 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