CID 459270

1-(dodecylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C26H33NO2
SMILES
CCCCCCCCCCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-13-19-27-23-18-14-17-22-24(23)26(29)21-16-12-11-15-20(21)25(22)28/h11-12,14-18,27H,2-10,13,19H2,1H3
InChIKey
RPAYWEKSUYVFBC-UHFFFAOYSA-N
Compound name
1-(dodecylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.25113 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25841 199.4
[M+Na]+ 414.24035 204.0
[M-H]- 390.24385 202.9
[M+NH4]+ 409.28495 212.6
[M+K]+ 430.21429 196.9
[M+H-H2O]+ 374.24839 190.1
[M+HCOO]- 436.24933 217.8
[M+CH3COO]- 450.26498 229.7
[M+Na-2H]- 412.22580 201.2
[M]+ 391.25058 203.2
[M]- 391.25168 203.2
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.