CID 3090849

(2-(2-benzyloxycarbonylamino-ethoxy)-ethyl)-carbamic acid benzyl ester

Structural Information

Molecular Formula
C20H24N2O5
SMILES
C1=CC=C(C=C1)COC(=O)NCCOCCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H24N2O5/c23-19(26-15-17-7-3-1-4-8-17)21-11-13-25-14-12-22-20(24)27-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKey
WHDWFMZBTHOBGF-UHFFFAOYSA-N
Compound name
benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

372.16852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 188.0
[M+Na]+ 395.15774 189.7
[M-H]- 371.16124 193.1
[M+NH4]+ 390.20234 198.4
[M+K]+ 411.13168 187.4
[M+H-H2O]+ 355.16578 177.7
[M+HCOO]- 417.16672 211.7
[M+CH3COO]- 431.18237 217.8
[M+Na-2H]- 393.14319 191.5
[M]+ 372.16797 191.6
[M]- 372.16907 191.6
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.