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]+ 324.18056 177.4
[M+Na]+ 346.16250 181.6
[M-H]- 322.16600 180.5
[M+NH4]+ 341.20710 191.4
[M+K]+ 362.13644 181.5
[M+H-H2O]+ 306.17054 170.4
[M+HCOO]- 368.17148 197.4
[M+CH3COO]- 382.18713 210.3
[M+Na-2H]- 344.14795 178.5
[M]+ 323.17273 183.0
[M]- 323.17383 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.