CID 91772

Tribenuron

Structural Information

Molecular Formula
C14H15N5O6S
SMILES
CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)
InChIKey
BQZXUHDXIARLEO-UHFFFAOYSA-N
Compound name
2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

21328
Patents

381.0743 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08158 182.8
[M+Na]+ 404.06352 189.6
[M-H]- 380.06702 186.4
[M+NH4]+ 399.10812 189.7
[M+K]+ 420.03746 187.4
[M+H-H2O]+ 364.07156 173.4
[M+HCOO]- 426.07250 197.3
[M+CH3COO]- 440.08815 219.3
[M+Na-2H]- 402.04897 186.2
[M]+ 381.07375 188.1
[M]- 381.07485 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.