CID 170733

43096-12-4

Structural Information

Molecular Formula
C31H26N2O3
SMILES
CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C31H26N2O3/c1-2-3-9-20-14-16-22(17-15-20)32-25-18-19-26(33-31(36)21-10-5-4-6-11-21)28-27(25)29(34)23-12-7-8-13-24(23)30(28)35/h4-8,10-19,32H,2-3,9H2,1H3,(H,33,36)
InChIKey
FBGVWUGZXVWYLN-UHFFFAOYSA-N
Compound name
N-[4-(4-butylanilino)-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

474.19434 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.20162 219.5
[M+Na]+ 497.18356 235.6
[M+NH4]+ 492.22816 227.1
[M+K]+ 513.15750 224.5
[M-H]- 473.18706 228.4
[M+Na-2H]- 495.16901 228.4
[M]+ 474.19379 224.5
[M]- 474.19489 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