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

18829
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

literature stripe

Patent stripe

patents stripe