CID 76543038

Ns00117000

Structural Information

Molecular Formula

C₁₅H₂₁NO₅

SMILES

CC1=C(C(=C(C=C1)O)C)N(C(C)C(=O)OC)C(=O)COC

InChI

InChI=1S/C15H21NO5/c1-9-6-7-12(17)10(2)14(9)16(13(18)8-20-4)11(3)15(19)21-5/h6-7,11,17H,8H2,1-5H3

InChIKey

SKNRMURHENGAJU-UHFFFAOYSA-N

Compound name

methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.14197 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.149246	166.9
[M+Na]+	318.131188	172.9
[M-H]-	294.134694	170.8
[M+NH4]+	313.175793	182.2
[M+K]+	334.105128	173.5
[M+H-H2O]+	278.139230	160.1
[M+HCOO]-	340.140171	188.0
[M+CH3COO]-	354.155821	208.8
[M+Na-2H]-	316.116636	165.5
[M]+	295.14142142	172.6
[M]-	295.14251858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.