CID 16205621

1-(butylamino)-4-[(2-ethylhexyl)amino]anthraquinone

Structural Information

Molecular Formula
C26H34N2O2
SMILES
CCCCC(CC)CNC1=C2C(=C(C=C1)NCCCC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C26H34N2O2/c1-4-7-11-18(6-3)17-28-22-15-14-21(27-16-8-5-2)23-24(22)26(30)20-13-10-9-12-19(20)25(23)29/h9-10,12-15,18,27-28H,4-8,11,16-17H2,1-3H3
InChIKey
QXAKJXZXSHFUGJ-UHFFFAOYSA-N
Compound name
1-(butylamino)-4-(2-ethylhexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.26202 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.26930 203.1
[M+Na]+ 429.25124 207.4
[M-H]- 405.25474 206.9
[M+NH4]+ 424.29584 215.6
[M+K]+ 445.22518 201.1
[M+H-H2O]+ 389.25928 193.9
[M+HCOO]- 451.26022 221.4
[M+CH3COO]- 465.27587 237.1
[M+Na-2H]- 427.23669 203.7
[M]+ 406.26147 206.0
[M]- 406.26257 206.0
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.