CID 21999851

Tribenuron-methyl tp2

Structural Information

Molecular Formula
C14H15N5O6S
SMILES
CC1=NC(=NC(=N1)OC)CNC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H15N5O6S/c1-8-16-11(18-14(17-8)25-2)7-15-13(22)19-26(23,24)10-6-4-3-5-9(10)12(20)21/h3-6H,7H2,1-2H3,(H,20,21)(H2,15,19,22)
InChIKey
LFBREERLHSYWED-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

381.0743 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.081576 183.3
[M+Na]+ 404.063518 190.0
[M-H]- 380.067024 185.4
[M+NH4]+ 399.108123 189.7
[M+K]+ 420.037458 186.4
[M+H-H2O]+ 364.071560 174.0
[M+HCOO]- 426.072501 197.3
[M+CH3COO]- 440.088151 216.3
[M+Na-2H]- 402.048966 187.3
[M]+ 381.07375142 187.4
[M]- 381.07484858 187.4
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

patents stripe