CID 139597909

Dimethenamid m11

Structural Information

Molecular Formula
C12H19NO3S
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)CO)C
InChI
InChI=1S/C12H19NO3S/c1-8-7-17-10(3)12(8)13(11(15)5-14)9(2)6-16-4/h7,9,14H,5-6H2,1-4H3
InChIKey
XVDHGNBVOSOGPG-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylthiophen-3-yl)-2-hydroxy-N-(1-methoxypropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

257.10855 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11583 160.5
[M+Na]+ 280.09777 166.7
[M-H]- 256.10127 164.4
[M+NH4]+ 275.14237 179.6
[M+K]+ 296.07171 165.7
[M+H-H2O]+ 240.10581 154.5
[M+HCOO]- 302.10675 178.1
[M+CH3COO]- 316.12240 198.4
[M+Na-2H]- 278.08322 157.5
[M]+ 257.10800 166.1
[M]- 257.10910 166.1
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.