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

26
Patents

293.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 170.5
[M+Na]+ 316.151938 174.8
[M-H]- 292.155444 174.8
[M+NH4]+ 311.196543 186.2
[M+K]+ 332.125878 175.1
[M+H-H2O]+ 276.159980 163.4
[M+HCOO]- 338.160921 192.1
[M+CH3COO]- 352.176571 206.4
[M+Na-2H]- 314.137386 173.1
[M]+ 293.16217142 175.8
[M]- 293.16326858 175.8
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