CID 103062

65000-36-4

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CCNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H16N2O2/c1-3-19-13-9-8-12(18-2)14-15(13)17(21)11-7-5-4-6-10(11)16(14)20/h4-9,18-19H,3H2,1-2H3
InChIKey
JOIIEYIBZDNPMY-UHFFFAOYSA-N
Compound name
1-(ethylamino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

280.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 161.4
[M+Na]+ 303.110418 170.4
[M-H]- 279.113924 167.2
[M+NH4]+ 298.155023 179.5
[M+K]+ 319.084358 165.4
[M+H-H2O]+ 263.118460 154.1
[M+HCOO]- 325.119401 184.1
[M+CH3COO]- 339.135051 209.4
[M+Na-2H]- 301.095866 168.2
[M]+ 280.12065142 162.2
[M]- 280.12174858 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe