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 173.1
[M-H]- 294.13469 171.4
[M+NH4]+ 313.17579 183.0
[M+K]+ 334.10513 173.5
[M+H-H2O]+ 278.13923 160.9
[M+HCOO]- 340.14017 189.1
[M+CH3COO]- 354.15582 207.5
[M+Na-2H]- 316.11664 167.2
[M]+ 295.14142 173.2
[M]- 295.14252 173.2
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.