CID 109381

1-(2-ethylhexylamino)-4-(isopropylamino)-9,10-anthracenedione

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CCCCC(CC)CNC1=C2C(=C(C=C1)NC(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C25H32N2O2/c1-5-7-10-17(6-2)15-26-20-13-14-21(27-16(3)4)23-22(20)24(28)18-11-8-9-12-19(18)25(23)29/h8-9,11-14,16-17,26-27H,5-7,10,15H2,1-4H3
InChIKey
PTPTYMOEHAYTPA-UHFFFAOYSA-N
Compound name
1-(2-ethylhexylamino)-4-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.24637 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 199.5
[M+Na]+ 415.23559 210.8
[M+NH4]+ 410.28019 206.5
[M+K]+ 431.20953 202.3
[M-H]- 391.23909 203.3
[M+Na-2H]- 413.22104 202.5
[M]+ 392.24582 202.0
[M]- 392.24692 202.0
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

No patent data available for this compound.