CID 16927

Disperse red 4

Structural Information

Molecular Formula
C15H11NO4
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C15H11NO4/c1-20-10-6-9(17)11-12(13(10)16)15(19)8-5-3-2-4-7(8)14(11)18/h2-6,17H,16H2,1H3
InChIKey
WSPPHHAIMCTKNN-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

773
Patents

269.06882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 155.9
[M+Na]+ 292.05804 166.8
[M-H]- 268.06154 160.8
[M+NH4]+ 287.10264 174.0
[M+K]+ 308.03198 162.6
[M+H-H2O]+ 252.06608 149.5
[M+HCOO]- 314.06702 176.5
[M+CH3COO]- 328.08267 201.2
[M+Na-2H]- 290.04349 161.3
[M]+ 269.06827 157.3
[M]- 269.06937 157.3
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