CID 117117

71334-59-3

Structural Information

Molecular Formula
C30H26N2O2
SMILES
CCC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)CC
InChI
InChI=1S/C30H26N2O2/c1-3-19-11-15-21(16-12-19)31-25-9-5-7-23-27(25)29(33)24-8-6-10-26(28(24)30(23)34)32-22-17-13-20(4-2)14-18-22/h5-18,31-32H,3-4H2,1-2H3
InChIKey
DHIHFWLVDSRFDG-UHFFFAOYSA-N
Compound name
1,5-bis(4-ethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

446.19943 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20671 214.0
[M+Na]+ 469.18865 231.6
[M+NH4]+ 464.23325 222.8
[M+K]+ 485.16259 219.5
[M-H]- 445.19215 224.0
[M+Na-2H]- 467.17410 223.8
[M]+ 446.19888 219.7
[M]- 446.19998 219.7
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