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

47
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 153.7
[M+Na]+ 276.06312 168.2
[M+NH4]+ 271.10772 162.4
[M+K]+ 292.03706 160.9
[M-H]- 252.06662 157.2
[M+Na-2H]- 274.04857 159.5
[M]+ 253.07335 156.7
[M]- 253.07445 156.7
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

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