CID 42586

Metalaxyl

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
InChI
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
InChIKey
ZQEIXNIJLIKNTD-UHFFFAOYSA-N
Compound name
methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

460
References

63998
Patents

279.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 164.6
[M+Na]+ 302.136278 170.3
[M-H]- 278.139784 169.6
[M+NH4]+ 297.180883 181.1
[M+K]+ 318.110218 171.0
[M+H-H2O]+ 262.144320 157.6
[M+HCOO]- 324.145261 187.0
[M+CH3COO]- 338.160911 207.8
[M+Na-2H]- 300.121726 164.3
[M]+ 279.14651142 170.3
[M]- 279.14760858 170.3
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

patents stripe