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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 166.9
[M+Na]+ 318.13119 172.9
[M-H]- 294.13469 170.8
[M+NH4]+ 313.17579 182.2
[M+K]+ 334.10513 173.5
[M+H-H2O]+ 278.13923 160.1
[M+HCOO]- 340.14017 188.0
[M+CH3COO]- 354.15582 208.8
[M+Na-2H]- 316.11664 165.5
[M]+ 295.14142 172.6
[M]- 295.14252 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.