CID 166213

71873-61-5

Structural Information

Molecular Formula
C26H18N2O4
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)NC5=CC=CC=C5)O
InChI
InChI=1S/C26H18N2O4/c29-19-13-11-17(27-15-7-3-1-4-8-15)21-23(19)26(32)24-20(30)14-12-18(22(24)25(21)31)28-16-9-5-2-6-10-16/h1-14,27-30H
InChIKey
NILBWBQAUNENGK-UHFFFAOYSA-N
Compound name
1,8-dianilino-4,5-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

422.12665 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13393 197.8
[M+Na]+ 445.11587 205.2
[M-H]- 421.11937 206.9
[M+NH4]+ 440.16047 207.2
[M+K]+ 461.08981 198.3
[M+H-H2O]+ 405.12391 187.0
[M+HCOO]- 467.12485 216.6
[M+CH3COO]- 481.14050 206.4
[M+Na-2H]- 443.10132 202.7
[M]+ 422.12610 196.3
[M]- 422.12720 196.3
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

patents stripe