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

7
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 186.6
[M+Na]+ 378.14645 203.3
[M+NH4]+ 373.19105 196.0
[M+K]+ 394.12039 192.4
[M-H]- 354.14995 193.7
[M+Na-2H]- 376.13190 195.1
[M]+ 355.15668 191.3
[M]- 355.15778 191.3
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