CID 91903

56524-76-6

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)NC)O
InChI
InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18-2)4-6-10(20)14(12)16(13)22/h3-6,17-20H,1-2H3
InChIKey
GCAWNTQAMNBDAY-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-4,5-bis(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

298.09537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 165.8
[M+Na]+ 321.08459 178.5
[M+NH4]+ 316.12919 172.8
[M+K]+ 337.05853 172.5
[M-H]- 297.08809 168.6
[M+Na-2H]- 319.07004 169.4
[M]+ 298.09482 168.2
[M]- 298.09592 168.2
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