CID 117115

71334-38-8

Structural Information

Molecular Formula
C24H21NO3
SMILES
CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H21NO3/c1-2-3-6-15-9-11-16(12-10-15)25-19-13-14-20(26)22-21(19)23(27)17-7-4-5-8-18(17)24(22)28/h4-5,7-14,25-26H,2-3,6H2,1H3
InChIKey
ITLXCSMSIXIRBB-UHFFFAOYSA-N
Compound name
1-(4-butylanilino)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

371.15213 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15941 190.2
[M+Na]+ 394.14135 206.2
[M+NH4]+ 389.18595 198.6
[M+K]+ 410.11529 196.3
[M-H]- 370.14485 196.4
[M+Na-2H]- 392.12680 197.4
[M]+ 371.15158 194.4
[M]- 371.15268 194.4
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