CID 2817242

Jfd00244

Structural Information

Molecular Formula
C30H26N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCC4=CC=C(C=C4)O)NCCC5=CC=C(C=C5)O
InChI
InChI=1S/C30H26N2O4/c33-21-9-5-19(6-10-21)15-17-31-25-13-14-26(32-18-16-20-7-11-22(34)12-8-20)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,31-34H,15-18H2
InChIKey
UUJHFIBEJJLZBF-UHFFFAOYSA-N
Compound name
1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

66
Patents

478.18927 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19655 214.8
[M+Na]+ 501.17849 220.2
[M-H]- 477.18199 223.0
[M+NH4]+ 496.22309 221.8
[M+K]+ 517.15243 212.7
[M+H-H2O]+ 461.18653 203.1
[M+HCOO]- 523.18747 232.1
[M+CH3COO]- 537.20312 221.5
[M+Na-2H]- 499.16394 217.6
[M]+ 478.18872 214.4
[M]- 478.18982 214.4
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

No patent data available for this compound.