CID 101134254

Ulfosulfuron tp4

Structural Information

Molecular Formula
C11H14N6O5S2
SMILES
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)N=C(N)N
InChI
InChI=1S/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)
InChIKey
QVPXXOJRJDDMIV-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

374.04672 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05400 181.0
[M+Na]+ 397.03594 188.5
[M-H]- 373.03944 183.4
[M+NH4]+ 392.08054 192.3
[M+K]+ 413.00988 184.3
[M+H-H2O]+ 357.04398 174.0
[M+HCOO]- 419.04492 194.1
[M+CH3COO]- 433.06057 218.7
[M+Na-2H]- 395.02139 187.0
[M]+ 374.04617 184.2
[M]- 374.04727 184.2
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.