CID 25021

1-amino-2-methoxyanthraquinone

Structural Information

Molecular Formula
C15H11NO3
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C15H11NO3/c1-19-11-7-6-10-12(13(11)16)15(18)9-5-3-2-4-8(9)14(10)17/h2-7H,16H2,1H3
InChIKey
AVDALLSBKDYTOL-UHFFFAOYSA-N
Compound name
1-amino-2-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

253.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.5
[M+Na]+ 276.06312 163.1
[M-H]- 252.06662 158.4
[M+NH4]+ 271.10772 171.8
[M+K]+ 292.03706 158.9
[M+H-H2O]+ 236.07116 145.8
[M+HCOO]- 298.07210 174.5
[M+CH3COO]- 312.08775 199.9
[M+Na-2H]- 274.04857 158.9
[M]+ 253.07335 153.8
[M]- 253.07445 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe