CID 90002

Einecs 245-438-5

Structural Information

Molecular Formula
C24H22N2O6
SMILES
CCOCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N
InChI
InChI=1S/C24H22N2O6/c1-2-31-9-10-32-13-5-3-12(4-6-13)14-11-16(26)19-21(22(14)28)24(30)18-15(25)7-8-17(27)20(18)23(19)29/h3-8,11,27-28H,2,9-10,25-26H2,1H3
InChIKey
VNWSDQPCIMGECC-UHFFFAOYSA-N
Compound name
4,8-diamino-2-[4-(2-ethoxyethoxy)phenyl]-1,5-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.1478 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.155076 203.1
[M+Na]+ 457.137018 211.4
[M-H]- 433.140524 208.8
[M+NH4]+ 452.181623 212.6
[M+K]+ 473.110958 206.7
[M+H-H2O]+ 417.145060 193.7
[M+HCOO]- 479.146001 220.4
[M+CH3COO]- 493.161651 236.4
[M+Na-2H]- 455.122466 203.5
[M]+ 434.14725142 205.5
[M]- 434.14834858 205.5
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

No patent data available for this compound.