CID 17885

Disperse red 11

Structural Information

Molecular Formula
C15H12N2O3
SMILES
COC1=C(C2=C(C(=C1)N)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3
InChIKey
TUXJTJITXCHUEL-UHFFFAOYSA-N
Compound name
1,4-diamino-2-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7273
Patents

268.08478 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 157.2
[M+Na]+ 291.073998 167.8
[M-H]- 267.077504 162.8
[M+NH4]+ 286.118603 175.4
[M+K]+ 307.047938 163.5
[M+H-H2O]+ 251.082040 150.4
[M+HCOO]- 313.082981 179.5
[M+CH3COO]- 327.098631 206.0
[M+Na-2H]- 289.059446 162.3
[M]+ 268.08423142 157.3
[M]- 268.08532858 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