CID 116832

9,10-anthracenedione, 1,4-bis[(4-cyclohexylphenyl)amino]-

Structural Information

Molecular Formula
C38H38N2O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NC3=C4C(=C(C=C3)NC5=CC=C(C=C5)C6CCCCC6)C(=O)C7=CC=CC=C7C4=O
InChI
InChI=1S/C38H38N2O2/c41-37-31-13-7-8-14-32(31)38(42)36-34(40-30-21-17-28(18-22-30)26-11-5-2-6-12-26)24-23-33(35(36)37)39-29-19-15-27(16-20-29)25-9-3-1-4-10-25/h7-8,13-26,39-40H,1-6,9-12H2
InChIKey
QLBNNVIXTQHNTB-UHFFFAOYSA-N
Compound name
1,4-bis(4-cyclohexylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

554.29333 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.30061 233.7
[M+Na]+ 577.28255 232.9
[M-H]- 553.28605 246.2
[M+NH4]+ 572.32715 236.6
[M+K]+ 593.25649 224.1
[M+H-H2O]+ 537.29059 217.8
[M+HCOO]- 599.29153 244.0
[M+CH3COO]- 613.30718 236.5
[M+Na-2H]- 575.26800 231.0
[M]+ 554.29278 222.0
[M]- 554.29388 222.0
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