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

7
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 161.4
[M+Na]+ 303.11042 170.4
[M-H]- 279.11392 167.2
[M+NH4]+ 298.15502 179.5
[M+K]+ 319.08436 165.4
[M+H-H2O]+ 263.11846 154.1
[M+HCOO]- 325.11940 184.1
[M+CH3COO]- 339.13505 209.4
[M+Na-2H]- 301.09587 168.2
[M]+ 280.12065 162.2
[M]- 280.12175 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