CID 91596

Ethidimuron

Structural Information

Molecular Formula

C₇H₁₂N₄O₃S₂

SMILES

CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC

InChI

InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)

InChIKey

KCOCSOWTADCKOL-UHFFFAOYSA-N

Compound name

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 9204
Patents: 264.0351 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

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]+	265.04238	156.6
[M+Na]+	287.02432	164.8
[M-H]-	263.02782	159.4
[M+NH4]+	282.06892	173.1
[M+K]+	302.99826	162.5
[M+H-H2O]+	247.03236	149.6
[M+HCOO]-	309.03330	169.8
[M+CH3COO]-	323.04895	196.9
[M+Na-2H]-	285.00977	157.8
[M]+	264.03455	161.2
[M]-	264.03565	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe