CID 126836049

2059937-32-3

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CCOC(=O)C(C(C1=CC=NC=C1)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-6-8-16-9-7-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20)
InChIKey
LUTAFCQKHIGHJH-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 172.7
[M+Na]+ 333.14208 176.0
[M-H]- 309.14558 173.1
[M+NH4]+ 328.18668 184.7
[M+K]+ 349.11602 176.0
[M+H-H2O]+ 293.15012 165.3
[M+HCOO]- 355.15106 189.6
[M+CH3COO]- 369.16671 204.3
[M+Na-2H]- 331.12753 174.1
[M]+ 310.15231 175.2
[M]- 310.15341 175.2
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.