CID 80839

6408-72-6

Structural Information

Molecular Formula
C26H18N2O4
SMILES
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2OC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5C3=O)N
InChI
InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2
InChIKey
NZTGGRGGJFCKGG-UHFFFAOYSA-N
Compound name
1,4-diamino-2,3-diphenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1413
Patents

422.12665 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13393 201.0
[M+Na]+ 445.11587 209.3
[M-H]- 421.11937 211.8
[M+NH4]+ 440.16047 211.2
[M+K]+ 461.08981 203.2
[M+H-H2O]+ 405.12391 189.5
[M+HCOO]- 467.12485 221.5
[M+CH3COO]- 481.14050 210.2
[M+Na-2H]- 443.10132 204.3
[M]+ 422.12610 200.9
[M]- 422.12720 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe