CID 85466

16517-70-7

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)O)N
InChI
InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2
InChIKey
QVEMRPAUHFWHRV-UHFFFAOYSA-N
Compound name
1,4-diamino-5,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

53
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