CID 163652

N-methoxy-n-methyl-n'-(3-(4-methylphenyl)-5-isothiazolyl)urea

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CC1=CC=C(C=C1)C2=NSC(=C2)NC(=O)N(C)OC
InChI
InChI=1S/C13H15N3O2S/c1-9-4-6-10(7-5-9)11-8-12(19-15-11)14-13(17)16(2)18-3/h4-8H,1-3H3,(H,14,17)
InChIKey
WRURXLMTKAYHJM-UHFFFAOYSA-N
Compound name
1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.0885 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.095776 162.6
[M+Na]+ 300.077718 170.1
[M-H]- 276.081224 170.2
[M+NH4]+ 295.122323 179.9
[M+K]+ 316.051658 167.9
[M+H-H2O]+ 260.085760 154.5
[M+HCOO]- 322.086701 183.8
[M+CH3COO]- 336.102351 203.5
[M+Na-2H]- 298.063166 163.7
[M]+ 277.08795142 167.0
[M]- 277.08904858 167.0
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