CID 125265325

Desmethyl amidosulfuron

Structural Information

Molecular Formula
C8H13N5O7S2
SMILES
CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=CC(=O)N1)OC
InChI
InChI=1S/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)
InChIKey
QAYZUYJYJXIVLF-UHFFFAOYSA-N
Compound name
1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

355.02563 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03291 172.6
[M+Na]+ 378.01485 178.4
[M-H]- 354.01835 173.1
[M+NH4]+ 373.05945 181.3
[M+K]+ 393.98879 175.2
[M+H-H2O]+ 338.02289 164.6
[M+HCOO]- 400.02383 183.6
[M+CH3COO]- 414.03948 211.4
[M+Na-2H]- 376.00030 178.3
[M]+ 355.02508 176.5
[M]- 355.02618 176.5
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.