CID 6451771

41611-76-1

Structural Information

Molecular Formula
C32H30N2O2
SMILES
CCC1=CC=CC(=C1NC2=C3C(=C(C=C2)NC4=C(C=CC=C4CC)C)C(=O)C5=CC=CC=C5C3=O)C
InChI
InChI=1S/C32H30N2O2/c1-5-21-13-9-11-19(3)29(21)33-25-17-18-26(34-30-20(4)12-10-14-22(30)6-2)28-27(25)31(35)23-15-7-8-16-24(23)32(28)36/h7-18,33-34H,5-6H2,1-4H3
InChIKey
NPJJGMRERPXCSE-UHFFFAOYSA-N
Compound name
1,4-bis(2-ethyl-6-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

474.23074 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23802 223.7
[M+Na]+ 497.21996 241.6
[M+NH4]+ 492.26456 232.1
[M+K]+ 513.19390 229.3
[M-H]- 473.22346 233.7
[M+Na-2H]- 495.20541 232.4
[M]+ 474.23019 229.4
[M]- 474.23129 229.4
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