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 198.9
[M+Na]+ 415.23559 203.4
[M-H]- 391.23909 203.0
[M+NH4]+ 410.28019 211.9
[M+K]+ 431.20953 198.0
[M+H-H2O]+ 375.24363 190.3
[M+HCOO]- 437.24457 216.6
[M+CH3COO]- 451.26022 235.0
[M+Na-2H]- 413.22104 198.9
[M]+ 392.24582 201.0
[M]- 392.24692 201.0
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.