CID 91904

56524-77-7

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)N)O
InChI
InChI=1S/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)14(20)10-6(16)2-4-8(18)12(10)15(13)21/h2-5,17-19H,16H2,1H3
InChIKey
UHEWQMYKNNPODZ-UHFFFAOYSA-N
Compound name
1-amino-4,5-dihydroxy-8-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

284.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 160.1
[M+Na]+ 307.06892 170.5
[M-H]- 283.07242 163.8
[M+NH4]+ 302.11352 176.7
[M+K]+ 323.04286 165.8
[M+H-H2O]+ 267.07696 153.8
[M+HCOO]- 329.07790 180.0
[M+CH3COO]- 343.09355 206.0
[M+Na-2H]- 305.05437 164.8
[M]+ 284.07915 159.5
[M]- 284.08025 159.5
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

patents stripe