CID 16205621

85455-53-4

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 204.2
[M+Na]+ 429.25124 215.7
[M+NH4]+ 424.29584 211.2
[M+K]+ 445.22518 206.1
[M-H]- 405.25474 208.2
[M+Na-2H]- 427.23669 207.3
[M]+ 406.26147 206.8
[M]- 406.26257 206.8
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.