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]+ 298.107376 164.8
[M+Na]+ 320.089318 174.2
[M-H]- 296.092824 170.2
[M+NH4]+ 315.133923 182.0
[M+K]+ 336.063258 170.3
[M+H-H2O]+ 280.097360 157.3
[M+HCOO]- 342.098301 186.2
[M+CH3COO]- 356.113951 208.1
[M+Na-2H]- 318.074766 170.2
[M]+ 297.09955142 168.1
[M]- 297.10064858 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.