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
4
Annotation Hits

0
References

3982
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 152.9
[M+Na]+ 275.07909 162.8
[M-H]- 251.08259 158.7
[M+NH4]+ 270.12369 171.9
[M+K]+ 291.05303 158.0
[M+H-H2O]+ 235.08713 146.1
[M+HCOO]- 297.08807 175.8
[M+CH3COO]- 311.10372 202.9
[M+Na-2H]- 273.06454 159.8
[M]+ 252.08932 152.2
[M]- 252.09042 152.2
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