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
1
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]+ 435.15508 203.1
[M+Na]+ 457.13702 211.4
[M-H]- 433.14052 208.8
[M+NH4]+ 452.18162 212.6
[M+K]+ 473.11096 206.7
[M+H-H2O]+ 417.14506 193.7
[M+HCOO]- 479.14600 220.4
[M+CH3COO]- 493.16165 236.4
[M+Na-2H]- 455.12247 203.5
[M]+ 434.14725 205.5
[M]- 434.14835 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.