CID 11419598

Foramsulfuron

Structural Information

Molecular Formula
C17H20N6O7S
SMILES
CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)
InChIKey
PXDNXJSDGQBLKS-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-formamido-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

22244
Patents

452.11142 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11870 200.0
[M+Na]+ 475.10064 204.5
[M-H]- 451.10414 205.7
[M+NH4]+ 470.14524 205.3
[M+K]+ 491.07458 203.4
[M+H-H2O]+ 435.10868 189.4
[M+HCOO]- 497.10962 218.3
[M+CH3COO]- 511.12527 240.7
[M+Na-2H]- 473.08609 203.7
[M]+ 452.11087 207.0
[M]- 452.11197 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.