CID 80761

6373-16-6

Structural Information

Molecular Formula
C15H11NO3
SMILES
CNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO3/c1-16-10-6-7-11(17)13-12(10)14(18)8-4-2-3-5-9(8)15(13)19/h2-7,16-17H,1H3
InChIKey
CLSZOXOVVBCADB-UHFFFAOYSA-N
Compound name
1-hydroxy-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

253.0739 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 151.9
[M+Na]+ 276.06312 162.0
[M-H]- 252.06662 156.9
[M+NH4]+ 271.10772 170.6
[M+K]+ 292.03706 157.3
[M+H-H2O]+ 236.07116 145.4
[M+HCOO]- 298.07210 173.0
[M+CH3COO]- 312.08775 198.1
[M+Na-2H]- 274.04857 158.9
[M]+ 253.07335 152.4
[M]- 253.07445 152.4
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.