CID 91779

Rimsulfuron

Structural Information

Molecular Formula
C14H17N5O7S2
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
MEFOUWRMVYJCQC-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

34
References

30160
Patents

431.05695 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06423 194.8
[M+Na]+ 454.04617 201.5
[M-H]- 430.04967 197.4
[M+NH4]+ 449.09077 199.8
[M+K]+ 470.02011 196.8
[M+H-H2O]+ 414.05421 185.7
[M+HCOO]- 476.05515 204.5
[M+CH3COO]- 490.07080 223.5
[M+Na-2H]- 452.03162 200.6
[M]+ 431.05640 201.3
[M]- 431.05750 201.3
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.