CID 116830

9,10-anthracenedione, 1,5-bis[(4-ethoxyphenyl)amino]-

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 216.9
[M+Na]+ 501.17849 223.0
[M-H]- 477.18199 227.6
[M+NH4]+ 496.22309 225.1
[M+K]+ 517.15243 216.9
[M+H-H2O]+ 461.18653 204.2
[M+HCOO]- 523.18747 237.0
[M+CH3COO]- 537.20312 224.7
[M+Na-2H]- 499.16394 220.0
[M]+ 478.18872 219.6
[M]- 478.18982 219.6
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