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
4
Annotation Hits

13
References

3754
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 148.4
[M+Na]+ 260.06820 158.2
[M-H]- 236.07170 154.4
[M+NH4]+ 255.11280 168.3
[M+K]+ 276.04214 153.6
[M+H-H2O]+ 220.07624 141.6
[M+HCOO]- 282.07718 170.9
[M+CH3COO]- 296.09283 161.8
[M+Na-2H]- 258.05365 156.5
[M]+ 237.07843 148.8
[M]- 237.07953 148.8
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