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
4
Annotation Hits

3
References

553
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 177.3
[M+Na]+ 381.10572 184.7
[M-H]- 357.10922 177.9
[M+NH4]+ 376.15032 189.3
[M+K]+ 397.07966 180.0
[M+H-H2O]+ 341.11376 170.3
[M+HCOO]- 403.11470 194.0
[M+CH3COO]- 417.13035 216.3
[M+Na-2H]- 379.09117 181.2
[M]+ 358.11595 178.0
[M]- 358.11705 178.0
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