CID 458954

1,5-diamino-4,8-bis(methylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CNC1=C2C(=C(C=C1)N)C(=O)C3=C(C=CC(=C3C2=O)N)NC
InChI
InChI=1S/C16H16N4O2/c1-19-9-5-3-7(17)11-13(9)15(21)12-8(18)4-6-10(20-2)14(12)16(11)22/h3-6,19-20H,17-18H2,1-2H3
InChIKey
VBVIRNBIYTVBCC-UHFFFAOYSA-N
Compound name
1,5-diamino-4,8-bis(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 165.8
[M+Na]+ 319.11654 175.3
[M-H]- 295.12004 171.3
[M+NH4]+ 314.16114 182.4
[M+K]+ 335.09048 170.5
[M+H-H2O]+ 279.12458 158.5
[M+HCOO]- 341.12552 189.4
[M+CH3COO]- 355.14117 219.0
[M+Na-2H]- 317.10199 170.5
[M]+ 296.12677 163.9
[M]- 296.12787 163.9
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.