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 166.7
[M+Na]+ 318.05035 174.9
[M-H]- 294.05385 167.2
[M+NH4]+ 313.09495 179.8
[M+K]+ 334.02429 169.7
[M+H-H2O]+ 278.05839 155.2
[M+HCOO]- 340.05933 178.0
[M+CH3COO]- 354.07498 206.5
[M+Na-2H]- 316.03580 166.5
[M]+ 295.06058 164.2
[M]- 295.06168 164.2
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

No patent data available for this compound.