CID 24212835

Methyl ((3-(2-chloro-3-methoxyphenyl)propanoyl)amino)acetate

Structural Information

Molecular Formula
C13H16ClNO4
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NCC(=O)OC
InChI
InChI=1S/C13H16ClNO4/c1-18-10-5-3-4-9(13(10)14)6-7-11(16)15-8-12(17)19-2/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKey
CVRAJKGSRXMWFA-UHFFFAOYSA-N
Compound name
methyl 2-[3-(2-chloro-3-methoxyphenyl)propanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08406 161.7
[M+Na]+ 308.06600 169.2
[M-H]- 284.06950 165.4
[M+NH4]+ 303.11060 178.4
[M+K]+ 324.03994 166.3
[M+H-H2O]+ 268.07404 156.0
[M+HCOO]- 330.07498 180.9
[M+CH3COO]- 344.09063 201.2
[M+Na-2H]- 306.05145 164.0
[M]+ 285.07623 168.2
[M]- 285.07733 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.