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
4
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 165.8
[M+Na]+ 316.11552 171.0
[M-H]- 292.11902 169.4
[M+NH4]+ 311.16012 180.7
[M+K]+ 332.08946 171.4
[M+H-H2O]+ 276.12356 159.0
[M+HCOO]- 338.12450 186.1
[M+CH3COO]- 352.14015 207.7
[M+Na-2H]- 314.10097 164.0
[M]+ 293.12575 169.8
[M]- 293.12685 169.8
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.