CID 67194

128-84-7

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)O)N
InChI
InChI=1S/C14H10N2O4/c15-9-7-8(10(16)14(20)13(9)19)12(18)6-4-2-1-3-5(6)11(7)17/h1-4,19-20H,15-16H2
InChIKey
OFIYINUGSZSGAW-UHFFFAOYSA-N
Compound name
1,4-diamino-2,3-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

270.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 156.4
[M+Na]+ 293.05328 167.3
[M-H]- 269.05678 159.8
[M+NH4]+ 288.09788 173.3
[M+K]+ 309.02722 162.5
[M+H-H2O]+ 253.06132 150.4
[M+HCOO]- 315.06226 176.1
[M+CH3COO]- 329.07791 202.6
[M+Na-2H]- 291.03873 160.6
[M]+ 270.06351 154.6
[M]- 270.06461 154.6
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