CID 21156104

9,10-anthracenedione, 1-amino-2-(2-methoxyethoxy)-

Structural Information

Molecular Formula
C17H15NO4
SMILES
COCCOC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C17H15NO4/c1-21-8-9-22-13-7-6-12-14(15(13)18)17(20)11-5-3-2-4-10(11)16(12)19/h2-7H,8-9,18H2,1H3
InChIKey
IYISFDRNXHSYBB-UHFFFAOYSA-N
Compound name
1-amino-2-(2-methoxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 164.8
[M+Na]+ 320.08932 174.2
[M-H]- 296.09282 170.2
[M+NH4]+ 315.13392 182.0
[M+K]+ 336.06326 170.3
[M+H-H2O]+ 280.09736 157.3
[M+HCOO]- 342.09830 186.2
[M+CH3COO]- 356.11395 208.1
[M+Na-2H]- 318.07477 170.2
[M]+ 297.09955 168.1
[M]- 297.10065 168.1
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

No patent data available for this compound.