CID 306237

N,n'-bis(4-(ethoxycarbonyl)phenyl)-1,10-decanediamide

Structural Information

Molecular Formula
C28H36N2O6
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C28H36N2O6/c1-3-35-27(33)21-13-17-23(18-14-21)29-25(31)11-9-7-5-6-8-10-12-26(32)30-24-19-15-22(16-20-24)28(34)36-4-2/h13-20H,3-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
DIYVDXSRPBUIFH-UHFFFAOYSA-N
Compound name
ethyl 4-[[10-(4-ethoxycarbonylanilino)-10-oxodecanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.25732 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.26460 224.8
[M+Na]+ 519.24654 224.5
[M-H]- 495.25004 229.3
[M+NH4]+ 514.29114 230.1
[M+K]+ 535.22048 221.7
[M+H-H2O]+ 479.25458 213.8
[M+HCOO]- 541.25552 244.2
[M+CH3COO]- 555.27117 246.2
[M+Na-2H]- 517.23199 220.6
[M]+ 496.25677 230.8
[M]- 496.25787 230.8
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.