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

99
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

literature stripe

Patent stripe

patents stripe