CID 109809

68227-28-1

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCCCNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H20N2O2/c1-3-4-11-21-15-10-9-14(20-2)16-17(15)19(23)13-8-6-5-7-12(13)18(16)22/h5-10,20-21H,3-4,11H2,1-2H3
InChIKey
KWKQLGSQUUYRDV-UHFFFAOYSA-N
Compound name
1-(butylamino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

308.15247 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.5
[M+Na]+ 331.14169 186.0
[M+NH4]+ 326.18629 181.0
[M+K]+ 347.11563 177.2
[M-H]- 307.14519 177.1
[M+Na-2H]- 329.12714 177.9
[M]+ 308.15192 175.7
[M]- 308.15302 175.7
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