CID 116830

70714-73-7

Structural Information

Molecular Formula
C30H26N2O4
SMILES
CCOC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)OCC
InChI
InChI=1S/C30H26N2O4/c1-3-35-21-15-11-19(12-16-21)31-25-9-5-7-23-27(25)29(33)24-8-6-10-26(28(24)30(23)34)32-20-13-17-22(18-14-20)36-4-2/h5-18,31-32H,3-4H2,1-2H3
InChIKey
KFNRCTRRWXKEQX-UHFFFAOYSA-N
Compound name
1,5-bis(4-ethoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

478.18927 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19655 220.1
[M+Na]+ 501.17849 236.7
[M+NH4]+ 496.22309 227.7
[M+K]+ 517.15243 225.7
[M-H]- 477.18199 229.2
[M+Na-2H]- 499.16394 229.0
[M]+ 478.18872 225.2
[M]- 478.18982 225.2
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