CID 90299

23941-48-2

Structural Information

Molecular Formula
C28H22N2O4
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=C(C=CC(=C5C3=O)O)O
InChI
InChI=1S/C28H22N2O4/c1-15-3-7-17(8-4-15)29-19-11-12-20(30-18-9-5-16(2)6-10-18)24-23(19)27(33)25-21(31)13-14-22(32)26(25)28(24)34/h3-14,29-32H,1-2H3
InChIKey
OZQQAZPMNWJRDQ-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-5,8-bis(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

856
Patents

450.15796 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16524 212.2
[M+Na]+ 473.14718 228.8
[M+NH4]+ 468.19178 219.5
[M+K]+ 489.12112 219.3
[M-H]- 449.15068 220.5
[M+Na-2H]- 471.13263 220.0
[M]+ 450.15741 217.1
[M]- 450.15851 217.1
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