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

48
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

literature stripe

Patent stripe

patents stripe