CID 86290064

Dimethenamid oxa

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C
InChI
InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16)
InChIKey
HOYCASTVMCEOTP-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 163.2
[M+Na]+ 294.07705 170.0
[M+NH4]+ 289.12165 168.9
[M+K]+ 310.05099 167.4
[M-H]- 270.08055 162.5
[M+Na-2H]- 292.06250 164.3
[M]+ 271.08728 164.0
[M]- 271.08838 164.0
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.