CID 13456437

Dtxsid901022026

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC(=O)O
InChI
InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)
InChIKey
IRTDHGMDHHAJIE-UHFFFAOYSA-N
Compound name
3-(N-(1-methoxy-1-oxopropan-2-yl)-2,6-dimethylanilino)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.5
[M+Na]+ 316.11552 174.7
[M+NH4]+ 311.16012 170.8
[M+K]+ 332.08946 172.6
[M-H]- 292.11902 165.5
[M+Na-2H]- 314.10097 168.6
[M]+ 293.12575 166.8
[M]- 293.12685 166.8
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.