CID 104148

Einecs 257-830-3

Structural Information

Molecular Formula
C26H18N2O4
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)O)O
InChI
InChI=1S/C26H18N2O4/c29-19-13-14-20(30)24-23(19)25(31)21-17(27-15-7-3-1-4-8-15)11-12-18(22(21)26(24)32)28-16-9-5-2-6-10-16/h1-14,27-30H
InChIKey
ZFPNHHAKQMROGS-UHFFFAOYSA-N
Compound name
1,4-dianilino-5,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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

literature stripe

Patent stripe

patents stripe