CID 51060008

882864-40-6

Structural Information

Molecular Formula
C32H26N2O8
SMILES
COC1=C(C=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)OC)OC)OC
InChI
InChI=1S/C32H26N2O8/c1-39-25-11-5-17(13-27(25)41-3)31(37)33-19-7-9-21-23(15-19)29(35)22-10-8-20(16-24(22)30(21)36)34-32(38)18-6-12-26(40-2)28(14-18)42-4/h5-16H,1-4H3,(H,33,37)(H,34,38)
InChIKey
IUQITYNTRLFDBD-UHFFFAOYSA-N
Compound name
N-[6-[(3,4-dimethoxybenzoyl)amino]-9,10-dioxoanthracen-2-yl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.16895 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.17623 235.6
[M+Na]+ 589.15817 249.5
[M+NH4]+ 584.20277 239.6
[M+K]+ 605.13211 242.4
[M-H]- 565.16167 241.9
[M+Na-2H]- 587.14362 241.3
[M]+ 566.16840 239.2
[M]- 566.16950 239.2
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

No patent data available for this compound.