CID 105321

66181-84-8

Structural Information

Molecular Formula
C38H28N4O2
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)NC6=CC=CC=C6)NC7=CC=CC=C7
InChI
InChI=1S/C38H28N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h1-24,39-42H
InChIKey
YFGXHOXJMJBGNY-UHFFFAOYSA-N
Compound name
1,4,5,8-tetraanilinoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

572.22125 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.22853 232.0
[M+Na]+ 595.21047 235.3
[M-H]- 571.21397 246.7
[M+NH4]+ 590.25507 234.1
[M+K]+ 611.18441 226.8
[M+H-H2O]+ 555.21851 216.4
[M+HCOO]- 617.21945 252.3
[M+CH3COO]- 631.23510 237.0
[M+Na-2H]- 593.19592 237.6
[M]+ 572.22070 227.9
[M]- 572.22180 227.9
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