CID 139595628

Ulfosulfuron tp2

Structural Information

Molecular Formula
C15H16N6O7S2
SMILES
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=O)N3)OC
InChI
InChI=1S/C15H16N6O7S2/c1-3-29(24,25)12-13(21-7-5-4-6-9(21)16-12)30(26,27)20-15(23)19-14-17-10(22)8-11(18-14)28-2/h4-8H,3H2,1-2H3,(H3,17,18,19,20,22,23)
InChIKey
JQPIURRDGIDVOP-UHFFFAOYSA-N
Compound name
1-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

456.0522 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.05948 201.6
[M+Na]+ 479.04142 210.8
[M-H]- 455.04492 204.0
[M+NH4]+ 474.08602 206.9
[M+K]+ 495.01536 205.1
[M+H-H2O]+ 439.04946 194.7
[M+HCOO]- 501.05040 210.6
[M+CH3COO]- 515.06605 225.4
[M+Na-2H]- 477.02687 208.4
[M]+ 456.05165 208.6
[M]- 456.05275 208.6
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.