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

10
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 170.7
[M+Na]+ 331.14169 178.6
[M-H]- 307.14519 176.0
[M+NH4]+ 326.18629 187.5
[M+K]+ 347.11563 173.3
[M+H-H2O]+ 291.14973 162.9
[M+HCOO]- 353.15067 192.6
[M+CH3COO]- 367.16632 215.4
[M+Na-2H]- 329.12714 176.3
[M]+ 308.15192 172.1
[M]- 308.15302 172.1
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