CID 21156125

9,10-anthracenedione, 1,8-dihydroxy-2-nitro-5-(phenylamino)-

Structural Information

Molecular Formula
C20H12N2O6
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C=CC(=C4O)[N+](=O)[O-]
InChI
InChI=1S/C20H12N2O6/c23-14-9-7-12(21-10-4-2-1-3-5-10)16-17(14)20(26)15-11(18(16)24)6-8-13(19(15)25)22(27)28/h1-9,21,23,25H
InChIKey
CHHGTEXPCJBCEI-UHFFFAOYSA-N
Compound name
5-anilino-1,8-dihydroxy-2-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.06955 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07683 182.7
[M+Na]+ 399.05877 198.0
[M+NH4]+ 394.10337 189.5
[M+K]+ 415.03271 193.8
[M-H]- 375.06227 188.5
[M+Na-2H]- 397.04422 188.5
[M]+ 376.06900 186.3
[M]- 376.07010 186.3
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

No patent data available for this compound.