CID 122163744

Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2-(3-methoxyphenyl)propanoate

Structural Information

Molecular Formula
C17H25NO5
SMILES
CCOC(=O)C(CNC(=O)OC(C)(C)C)C1=CC(=CC=C1)OC
InChI
InChI=1S/C17H25NO5/c1-6-22-15(19)14(11-18-16(20)23-17(2,3)4)12-8-7-9-13(10-12)21-5/h7-10,14H,6,11H2,1-5H3,(H,18,20)
InChIKey
XOZJCMCSTKNHJJ-UHFFFAOYSA-N
Compound name
ethyl 2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.180556 177.4
[M+Na]+ 346.162498 181.6
[M-H]- 322.166004 180.5
[M+NH4]+ 341.207103 191.4
[M+K]+ 362.136438 181.5
[M+H-H2O]+ 306.170540 170.4
[M+HCOO]- 368.171481 197.4
[M+CH3COO]- 382.187131 210.3
[M+Na-2H]- 344.147946 178.5
[M]+ 323.17273142 183.0
[M]- 323.17382858 183.0
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.