CID 155884404

Mandipropamid tp3

Structural Information

Molecular Formula
C14H14ClNO4
SMILES
C#CCOC(C1=CC=C(C=C1)Cl)C(=O)NCCC(=O)O
InChI
InChI=1S/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)
InChIKey
ZNNAJYNLYSBVRG-UHFFFAOYSA-N
Compound name
3-[[2-(4-chlorophenyl)-2-prop-2-ynoxyacetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

295.06113 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06841 162.3
[M+Na]+ 318.05035 171.9
[M+NH4]+ 313.09495 164.5
[M+K]+ 334.02429 164.2
[M-H]- 294.05385 154.2
[M+Na-2H]- 316.03580 163.0
[M]+ 295.06058 160.5
[M]- 295.06168 160.5
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.