CID 15842092

Metolachlor oa

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C
InChI
InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19)
InChIKey
LNOOSYCKMKZOJB-UHFFFAOYSA-N
Compound name
2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

23
Patents

279.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.4
[M+Na]+ 302.13628 174.4
[M+NH4]+ 297.18088 170.7
[M+K]+ 318.11022 171.0
[M-H]- 278.13978 165.5
[M+Na-2H]- 300.12173 168.3
[M]+ 279.14651 166.3
[M]- 279.14761 166.3
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

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