CID 3084881

1-(p-butylanilino)anthraquinone

Structural Information

Molecular Formula
C24H21NO2
SMILES
CCCCC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H21NO2/c1-2-3-7-16-12-14-17(15-13-16)25-21-11-6-10-20-22(21)24(27)19-9-5-4-8-18(19)23(20)26/h4-6,8-15,25H,2-3,7H2,1H3
InChIKey
GLFYBBZFIMBZKR-UHFFFAOYSA-N
Compound name
1-(4-butylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

355.15723 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.164506 185.4
[M+Na]+ 378.146448 193.2
[M-H]- 354.149954 193.5
[M+NH4]+ 373.191053 199.8
[M+K]+ 394.120388 186.1
[M+H-H2O]+ 338.154490 175.6
[M+HCOO]- 400.155431 205.8
[M+CH3COO]- 414.171081 195.7
[M+Na-2H]- 376.131896 190.0
[M]+ 355.15668142 186.2
[M]- 355.15777858 186.2
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

patents stripe