CID 20055269

85933-49-9

Structural Information

Molecular Formula
C15H21NO5
SMILES
CC1=C(C(=CC=C1)CO)N(C(C)C(=O)OC)C(=O)COC
InChI
InChI=1S/C15H21NO5/c1-10-6-5-7-12(8-17)14(10)16(13(18)9-20-3)11(2)15(19)21-4/h5-7,11,17H,8-9H2,1-4H3
InChIKey
JRTUFKUEKGCXQP-UHFFFAOYSA-N
Compound name
methyl 2-[2-(hydroxymethyl)-N-(2-methoxyacetyl)-6-methylanilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 168.0
[M+Na]+ 318.13119 176.5
[M+NH4]+ 313.17579 172.7
[M+K]+ 334.10513 173.6
[M-H]- 294.13469 167.5
[M+Na-2H]- 316.11664 170.5
[M]+ 295.14142 168.6
[M]- 295.14252 168.6
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.