CID 67007

9,10-anthracenedione, 1,4-bis[(2,4,6-triethylphenyl)amino]-

Structural Information

Molecular Formula
C38H42N2O2
SMILES
CCC1=CC(=C(C(=C1)CC)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4CC)CC)CC)C(=O)C5=CC=CC=C5C3=O)CC
InChI
InChI=1S/C38H42N2O2/c1-7-23-19-25(9-3)35(26(10-4)20-23)39-31-17-18-32(40-36-27(11-5)21-24(8-2)22-28(36)12-6)34-33(31)37(41)29-15-13-14-16-30(29)38(34)42/h13-22,39-40H,7-12H2,1-6H3
InChIKey
ODDMIDRERDTWDF-UHFFFAOYSA-N
Compound name
1,4-bis(2,4,6-triethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

558.32465 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.33193 249.9
[M+Na]+ 581.31387 256.2
[M-H]- 557.31737 260.3
[M+NH4]+ 576.35847 256.0
[M+K]+ 597.28781 247.5
[M+H-H2O]+ 541.32191 236.5
[M+HCOO]- 603.32285 266.5
[M+CH3COO]- 617.33850 270.4
[M+Na-2H]- 579.29932 245.2
[M]+ 558.32410 253.8
[M]- 558.32520 253.8
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