CID 14094531

94313-79-8

Structural Information

Molecular Formula
C20H21NO6
SMILES
COCCOCCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C20H21NO6/c1-26-9-10-27-8-4-7-21-14-11-15(22)16-17(20(14)25)19(24)13-6-3-2-5-12(13)18(16)23/h2-3,5-6,11,21-22,25H,4,7-10H2,1H3
InChIKey
ZSFWKWLNASMXLT-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-2-[3-(2-methoxyethoxy)propylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

371.1369 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.144176 183.1
[M+Na]+ 394.126118 190.5
[M-H]- 370.129624 185.8
[M+NH4]+ 389.170723 196.0
[M+K]+ 410.100058 186.5
[M+H-H2O]+ 354.134160 175.3
[M+HCOO]- 416.135101 201.2
[M+CH3COO]- 430.150751 219.1
[M+Na-2H]- 392.111566 186.9
[M]+ 371.13635142 188.1
[M]- 371.13744858 188.1
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