CID 162534

1-(p-dodecylanilino)anthraquinone

Structural Information

Molecular Formula
C32H37NO2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C32H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-24-20-22-25(23-21-24)33-29-19-14-18-28-30(29)32(35)27-17-13-12-16-26(27)31(28)34/h12-14,16-23,33H,2-11,15H2,1H3
InChIKey
CXBWUYBJZCGEOL-UHFFFAOYSA-N
Compound name
1-(4-dodecylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

467.28244 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.28972 221.5
[M+Na]+ 490.27166 225.3
[M-H]- 466.27516 227.6
[M+NH4]+ 485.31626 230.9
[M+K]+ 506.24560 216.6
[M+H-H2O]+ 450.27970 209.8
[M+HCOO]- 512.28064 238.7
[M+CH3COO]- 526.29629 244.4
[M+Na-2H]- 488.25711 221.5
[M]+ 467.28189 224.5
[M]- 467.28299 224.5
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

patents stripe