CID 153909

Tribenuron-methyl

Structural Information

Molecular Formula
C15H17N5O6S
SMILES
CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
InChIKey
VLCQZHSMCYCDJL-UHFFFAOYSA-N
Compound name
methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

415
References

24244
Patents

395.08997 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.09725 185.2
[M+Na]+ 418.07919 194.3
[M+NH4]+ 413.12379 187.5
[M+K]+ 434.05313 191.2
[M-H]- 394.08269 184.9
[M+Na-2H]- 416.06464 190.2
[M]+ 395.08942 186.3
[M]- 395.09052 186.3
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