CID 88431

4-((p-(2-hydroxyethyl)phenyl)amino)-5-amino-1,8-dihydroxyanthraquinone

Structural Information

Molecular Formula
C22H18N2O5
SMILES
C1=CC(=CC=C1CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)N)O
InChI
InChI=1S/C22H18N2O5/c23-13-5-7-15(26)19-17(13)21(28)18-14(6-8-16(27)20(18)22(19)29)24-12-3-1-11(2-4-12)9-10-25/h1-8,24-27H,9-10,23H2
InChIKey
SGJSHHCMRQXBKZ-UHFFFAOYSA-N
Compound name
1-amino-4,5-dihydroxy-8-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

390.12158 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 189.8
[M+Na]+ 413.11080 198.1
[M-H]- 389.11430 194.7
[M+NH4]+ 408.15540 200.6
[M+K]+ 429.08474 192.2
[M+H-H2O]+ 373.11884 181.2
[M+HCOO]- 435.11978 206.9
[M+CH3COO]- 449.13543 225.1
[M+Na-2H]- 411.09625 192.4
[M]+ 390.12103 189.0
[M]- 390.12213 189.0
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