CID 381435

Nsc668023

Structural Information

Molecular Formula
C26H25NO6
SMILES
C1=CC=C(C=C1)COC(=O)C(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)23(25(29)32-18-21-12-6-2-7-13-21)16-27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
InChIKey
JPVIUUYQWFQLRB-UHFFFAOYSA-N
Compound name
dibenzyl 2-(phenylmethoxycarbonylaminomethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.16818 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.17546 208.2
[M+Na]+ 470.15740 208.6
[M-H]- 446.16090 215.9
[M+NH4]+ 465.20200 214.6
[M+K]+ 486.13134 206.1
[M+H-H2O]+ 430.16544 196.6
[M+HCOO]- 492.16638 228.2
[M+CH3COO]- 506.18203 229.5
[M+Na-2H]- 468.14285 208.3
[M]+ 447.16763 211.1
[M]- 447.16873 211.1
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.