CID 93525

Pyrazosulfuron

Structural Information

Molecular Formula
C12H14N6O7S
SMILES
CN1C(=C(C=N1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)
InChIKey
VXMNDQDDWDDKOQ-UHFFFAOYSA-N
Compound name
5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17654
Patents

386.06445 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07173 182.3
[M+Na]+ 409.05367 190.1
[M-H]- 385.05717 184.4
[M+NH4]+ 404.09827 189.3
[M+K]+ 425.02761 188.0
[M+H-H2O]+ 369.06171 173.9
[M+HCOO]- 431.06265 196.7
[M+CH3COO]- 445.07830 216.7
[M+Na-2H]- 407.03912 184.6
[M]+ 386.06390 188.8
[M]- 386.06500 188.8
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

patents stripe