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
2
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]+ 327.13393 172.5
[M+Na]+ 349.11587 181.6
[M-H]- 325.11937 178.9
[M+NH4]+ 344.16047 188.8
[M+K]+ 365.08981 179.4
[M+H-H2O]+ 309.12391 165.4
[M+HCOO]- 371.12485 192.9
[M+CH3COO]- 385.14050 221.6
[M+Na-2H]- 347.10132 175.2
[M]+ 326.12610 176.1
[M]- 326.12720 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.