CID 84797

15114-15-5

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N
InChI
InChI=1S/C22H18N2O5/c1-2-29-11-5-3-10(4-6-11)12-9-14(24)17-19(20(12)26)22(28)16-13(23)7-8-15(25)18(16)21(17)27/h3-9,25-26H,2,23-24H2,1H3
InChIKey
YYBSEGBOVVQCAU-UHFFFAOYSA-N
Compound name
4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

390.12158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 192.7
[M+Na]+ 413.11080 206.6
[M+NH4]+ 408.15540 198.9
[M+K]+ 429.08474 200.1
[M-H]- 389.11430 197.5
[M+Na-2H]- 411.09625 196.8
[M]+ 390.12103 195.9
[M]- 390.12213 195.9
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