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]+ 392.258406 199.4
[M+Na]+ 414.240348 204.0
[M-H]- 390.243854 202.9
[M+NH4]+ 409.284953 212.6
[M+K]+ 430.214288 196.9
[M+H-H2O]+ 374.248390 190.1
[M+HCOO]- 436.249331 217.8
[M+CH3COO]- 450.264981 229.7
[M+Na-2H]- 412.225796 201.2
[M]+ 391.25058142 203.2
[M]- 391.25167858 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.