CID 52999

Metsulfuron-methyl

Structural Information

Molecular Formula
C14H15N5O6S
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
InChIKey
RSMUVYRMZCOLBH-UHFFFAOYSA-N
Compound name
methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

429
References

42991
Patents

381.0743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08158 183.8
[M+Na]+ 404.06352 191.0
[M-H]- 380.06702 187.4
[M+NH4]+ 399.10812 191.0
[M+K]+ 420.03746 188.2
[M+H-H2O]+ 364.07156 174.2
[M+HCOO]- 426.07250 199.3
[M+CH3COO]- 440.08815 217.7
[M+Na-2H]- 402.04897 188.1
[M]+ 381.07375 189.6
[M]- 381.07485 189.6
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.