PubChemLite - Metazosulfuron (C15H18ClN7O7S)

Structural Information

Molecular Formula

SMILES

CC1CON=C(O1)C2=C(N(N=C2Cl)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C15H18ClN7O7S/c1-7-6-29-21-12(30-7)10-11(16)20-23(2)13(10)31(25,26)22-15(24)19-14-17-8(27-3)5-9(18-14)28-4/h5,7H,6H2,1-4H3,(H2,17,18,19,22,24)

InChIKey

IXWKBUKANTXHJH-UHFFFAOYSA-N

Compound name

1-[5-chloro-2-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)pyrazol-3-yl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	476.07498	205.4
[M+Na]+	498.05692	215.5
[M+NH4]+	493.10152	206.5
[M+K]+	514.03086	214.7
[M-H]-	474.06042	207.8
[M+Na-2H]-	496.04237	207.7
[M]+	475.06715	207.7
[M]-	475.06825	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.07498

205.4

[M+Na]+

498.05692

215.5

[M+NH4]+

493.10152

206.5

[M+K]+

514.03086

214.7

[M-H]-

474.06042

207.8

[M+Na-2H]-

496.04237

207.7

[M]+

475.06715

207.7

[M]-

475.06825

207.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Metazosulfuron

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe