CID 2818339

Tert-butyl n-[2-(benzyloxy)-1-carbamoylpropyl]carbamate

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C(C(=O)N)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1
InChI
InChI=1S/C16H24N2O4/c1-11(21-10-12-8-6-5-7-9-12)13(14(17)19)18-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKey
OCFYTKZXDSNICX-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 174.8
[M+Na]+ 331.16282 177.3
[M-H]- 307.16632 177.0
[M+NH4]+ 326.20742 188.2
[M+K]+ 347.13676 177.1
[M+H-H2O]+ 291.17086 167.5
[M+HCOO]- 353.17180 194.2
[M+CH3COO]- 367.18745 210.1
[M+Na-2H]- 329.14827 175.0
[M]+ 308.17305 175.7
[M]- 308.17415 175.7
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.