CID 51060005

882864-37-1

Structural Information

Molecular Formula
C38H38N2O6
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCCCC
InChI
InChI=1S/C38H38N2O6/c1-3-5-7-21-45-29-15-9-25(10-16-29)37(43)39-27-13-19-31-33(23-27)35(41)32-20-14-28(24-34(32)36(31)42)40-38(44)26-11-17-30(18-12-26)46-22-8-6-4-2/h9-20,23-24H,3-8,21-22H2,1-2H3,(H,39,43)(H,40,44)
InChIKey
MXBRJOJTHKUFGF-UHFFFAOYSA-N
Compound name
N-[9,10-dioxo-6-[(4-pentoxybenzoyl)amino]anthracen-2-yl]-4-pentoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.273 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.28028 254.0
[M+Na]+ 641.26222 255.3
[M-H]- 617.26572 262.8
[M+NH4]+ 636.30682 255.5
[M+K]+ 657.23616 250.2
[M+H-H2O]+ 601.27026 239.8
[M+HCOO]- 663.27120 269.6
[M+CH3COO]- 677.28685 273.2
[M+Na-2H]- 639.24767 251.5
[M]+ 618.27245 258.8
[M]- 618.27355 258.8
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

No patent data available for this compound.