CID 19729

Disperse blue 26

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)NC
InChI
InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)14-10(20)6-4-8(18-2)12(14)16(13)22/h3-6,17-20H,1-2H3
InChIKey
OKZNPGWYVNZKKZ-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-4,8-bis(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

365
Patents

298.09537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 163.8
[M+Na]+ 321.08459 173.6
[M-H]- 297.08809 167.7
[M+NH4]+ 316.12919 180.0
[M+K]+ 337.05853 169.0
[M+H-H2O]+ 281.09263 157.2
[M+HCOO]- 343.09357 184.0
[M+CH3COO]- 357.10922 209.4
[M+Na-2H]- 319.07004 169.0
[M]+ 298.09482 164.4
[M]- 298.09592 164.4
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.