CID 14650

1220-94-6

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CNC1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12N2O2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3
InChIKey
ICVRBKCRXNVOJC-UHFFFAOYSA-N
Compound name
1-amino-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3951
Patents

252.08987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 154.4
[M+Na]+ 275.07909 168.4
[M+NH4]+ 270.12369 163.4
[M+K]+ 291.05303 160.8
[M-H]- 251.08259 159.0
[M+Na-2H]- 273.06454 160.4
[M]+ 252.08932 157.6
[M]- 252.09042 157.6
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