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

12
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

literature stripe

Patent stripe

patents stripe