CID 76268

F8yc153i5t

Structural Information

Molecular Formula
C28H22N2O4
SMILES
COC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C28H22N2O4/c1-33-19-11-7-17(8-12-19)29-23-15-16-24(30-18-9-13-20(34-2)14-10-18)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
InChIKey
GCKWKXLBKRJDAE-UHFFFAOYSA-N
Compound name
1,4-bis(4-methoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

450.15796 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16524 208.1
[M+Na]+ 473.14718 215.3
[M-H]- 449.15068 219.4
[M+NH4]+ 468.19178 217.6
[M+K]+ 489.12112 209.5
[M+H-H2O]+ 433.15522 195.9
[M+HCOO]- 495.15616 229.1
[M+CH3COO]- 509.17181 216.9
[M+Na-2H]- 471.13263 212.4
[M]+ 450.15741 210.3
[M]- 450.15851 210.3
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