CID 11520759

Mesosulfuron

Structural Information

Molecular Formula
C16H19N5O9S2
SMILES
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)O)OC
InChI
InChI=1S/C16H19N5O9S2/c1-29-12-7-13(30-2)19-15(18-12)20-16(24)21-32(27,28)11-6-9(8-17-31(3,25)26)4-5-10(11)14(22)23/h4-7,17H,8H2,1-3H3,(H,22,23)(H2,18,19,20,21,24)
InChIKey
MAYMYMXYWIVVOK-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

19249
Patents

489.0624 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.06968 204.0
[M+Na]+ 512.05162 207.5
[M-H]- 488.05512 205.8
[M+NH4]+ 507.09622 206.2
[M+K]+ 528.02556 203.9
[M+H-H2O]+ 472.05966 194.7
[M+HCOO]- 534.06060 212.9
[M+CH3COO]- 548.07625 236.3
[M+Na-2H]- 510.03707 209.6
[M]+ 489.06185 209.9
[M]- 489.06295 209.9
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.