CID 11091168

Orthosulfamuron

Structural Information

Molecular Formula
C16H20N6O6S
SMILES
CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)
InChIKey
UCDPMNSCCRBWIC-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

14280
Patents

424.11652 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12380 191.9
[M+Na]+ 447.10574 198.3
[M+NH4]+ 442.15034 193.7
[M+K]+ 463.07968 195.7
[M-H]- 423.10924 192.6
[M+Na-2H]- 445.09119 196.6
[M]+ 424.11597 192.7
[M]- 424.11707 192.7
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