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
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 211.4
[M+Na]+ 469.18865 218.3
[M-H]- 445.19215 222.2
[M+NH4]+ 464.23325 221.3
[M+K]+ 485.16259 210.3
[M+H-H2O]+ 429.19669 199.3
[M+HCOO]- 491.19763 231.4
[M+CH3COO]- 505.21328 219.7
[M+Na-2H]- 467.17410 214.2
[M]+ 446.19888 211.5
[M]- 446.19998 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