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

10
Patents

355.15723 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16451 185.4
[M+Na]+ 378.14645 193.2
[M-H]- 354.14995 193.5
[M+NH4]+ 373.19105 199.8
[M+K]+ 394.12039 186.1
[M+H-H2O]+ 338.15449 175.6
[M+HCOO]- 400.15543 205.8
[M+CH3COO]- 414.17108 195.7
[M+Na-2H]- 376.13190 190.0
[M]+ 355.15668 186.2
[M]- 355.15778 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