CID 117117

Einecs 275-338-7

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
2
Annotation Hits

0
References

32
Patents

446.19943 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.206706 211.4
[M+Na]+ 469.188648 218.3
[M-H]- 445.192154 222.2
[M+NH4]+ 464.233253 221.3
[M+K]+ 485.162588 210.3
[M+H-H2O]+ 429.196690 199.3
[M+HCOO]- 491.197631 231.4
[M+CH3COO]- 505.213281 219.7
[M+Na-2H]- 467.174096 214.2
[M]+ 446.19888142 211.5
[M]- 446.19997858 211.5
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