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

19
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 170.5
[M+Na]+ 316.15194 174.8
[M-H]- 292.15544 174.8
[M+NH4]+ 311.19654 186.2
[M+K]+ 332.12588 175.1
[M+H-H2O]+ 276.15998 163.4
[M+HCOO]- 338.16092 192.1
[M+CH3COO]- 352.17657 206.4
[M+Na-2H]- 314.13739 173.1
[M]+ 293.16217 175.8
[M]- 293.16327 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