CID 86355

Azimsulfuron

Structural Information

Molecular Formula
C13H16N10O5S
SMILES
CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
InChI
InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
InChIKey
MAHPNPYYQAIOJN-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

22032
Patents

424.10257 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10985 190.1
[M+Na]+ 447.09179 199.9
[M+NH4]+ 442.13639 190.3
[M+K]+ 463.06573 201.6
[M-H]- 423.09529 188.7
[M+Na-2H]- 445.07724 194.9
[M]+ 424.10202 190.9
[M]- 424.10312 190.9
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