CID 83344

1,5-dihydroxy-4,8-bis(dimethylamino)anthraquinone

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CN(C)C1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)N(C)C
InChI
InChI=1S/C18H18N2O4/c1-19(2)9-5-7-11(21)15-13(9)17(23)16-12(22)8-6-10(20(3)4)14(16)18(15)24/h5-8,21-22H,1-4H3
InChIKey
QWNYSSXILSEIKT-UHFFFAOYSA-N
Compound name
1,5-bis(dimethylamino)-4,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

326.12665 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.133926 172.5
[M+Na]+ 349.115868 181.6
[M-H]- 325.119374 178.9
[M+NH4]+ 344.160473 188.8
[M+K]+ 365.089808 179.4
[M+H-H2O]+ 309.123910 165.4
[M+HCOO]- 371.124851 192.9
[M+CH3COO]- 385.140501 221.6
[M+Na-2H]- 347.101316 175.2
[M]+ 326.12610142 176.1
[M]- 326.12719858 176.1
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.