CID 109809

Einecs 269-342-8

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

13
Patents

308.15247 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 170.7
[M+Na]+ 331.141688 178.6
[M-H]- 307.145194 176.0
[M+NH4]+ 326.186293 187.5
[M+K]+ 347.115628 173.3
[M+H-H2O]+ 291.149730 162.9
[M+HCOO]- 353.150671 192.6
[M+CH3COO]- 367.166321 215.4
[M+Na-2H]- 329.127136 176.3
[M]+ 308.15192142 172.1
[M]- 308.15301858 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