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

2
Patents

295.14197 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 168.0
[M+Na]+ 318.131188 173.1
[M-H]- 294.134694 171.4
[M+NH4]+ 313.175793 183.0
[M+K]+ 334.105128 173.5
[M+H-H2O]+ 278.139230 160.9
[M+HCOO]- 340.140171 189.1
[M+CH3COO]- 354.155821 207.5
[M+Na-2H]- 316.116636 167.2
[M]+ 295.14142142 173.2
[M]- 295.14251858 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

patents stripe