CID 6706

1-(methylamino)anthraquinone

Structural Information

Molecular Formula
C15H11NO2
SMILES
CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3
InChIKey
SVTDYSXXLJYUTM-UHFFFAOYSA-N
Compound name
1-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

3600
Patents

237.07898 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.2
[M+Na]+ 260.06820 165.4
[M+NH4]+ 255.11280 159.9
[M+K]+ 276.04214 157.0
[M-H]- 236.07170 154.7
[M+Na-2H]- 258.05365 157.3
[M]+ 237.07843 153.7
[M]- 237.07953 153.7
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

patents stripe