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

233
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

literature stripe

Patent stripe

patents stripe