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

10
Patents

280.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 163.4
[M+Na]+ 303.11042 177.3
[M+NH4]+ 298.15502 172.2
[M+K]+ 319.08436 169.0
[M-H]- 279.11392 168.1
[M+Na-2H]- 301.09587 169.4
[M]+ 280.12065 166.7
[M]- 280.12175 166.7
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