CID 10565655

136159-62-1

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCOC(=O)CN(CC1=CC=CC=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H23NO4/c1-5-20-14(18)12-17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKey
SVXBDJYYFFBQTK-UHFFFAOYSA-N
Compound name
ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

293.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.5
[M+Na]+ 316.15194 178.1
[M+NH4]+ 311.19654 174.9
[M+K]+ 332.12588 174.2
[M-H]- 292.15544 169.5
[M+Na-2H]- 314.13739 173.6
[M]+ 293.16217 170.4
[M]- 293.16327 170.4
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

patents stripe