CID 46829552

Sideroxyl

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CC(C)OC(=O)CN(CCN(CC1=CC=CC=C1)CC(=O)OC(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C26H36N2O4/c1-21(2)31-25(29)19-27(17-23-11-7-5-8-12-23)15-16-28(20-26(30)32-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22H,15-20H2,1-4H3
InChIKey
PDKSBUDYYWLQGH-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

440.26752 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.27480 209.9
[M+Na]+ 463.25674 217.8
[M+NH4]+ 458.30134 214.5
[M+K]+ 479.23068 212.5
[M-H]- 439.26024 213.2
[M+Na-2H]- 461.24219 215.1
[M]+ 440.26697 211.6
[M]- 440.26807 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe