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]+ 457.059476 201.6
[M+Na]+ 479.041418 210.8
[M-H]- 455.044924 204.0
[M+NH4]+ 474.086023 206.9
[M+K]+ 495.015358 205.1
[M+H-H2O]+ 439.049460 194.7
[M+HCOO]- 501.050401 210.6
[M+CH3COO]- 515.066051 225.4
[M+Na-2H]- 477.026866 208.4
[M]+ 456.05165142 208.6
[M]- 456.05274858 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.