CID 18514

Disperse blue 7

Structural Information

Molecular Formula
C18H18N2O6
SMILES
C1=CC(=C2C(=C1NCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCO
InChI
InChI=1S/C18H18N2O6/c21-7-5-19-9-1-2-10(20-6-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,19-24H,5-8H2
InChIKey
WHPNHQRWWMLKPJ-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

552
Patents

358.1165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12378 180.8
[M+Na]+ 381.10572 190.9
[M+NH4]+ 376.15032 185.5
[M+K]+ 397.07966 186.3
[M-H]- 357.10922 181.4
[M+Na-2H]- 379.09117 181.8
[M]+ 358.11595 181.9
[M]- 358.11705 181.9
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