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]+ 278.09578 162.6
[M+Na]+ 300.07772 170.1
[M-H]- 276.08122 170.2
[M+NH4]+ 295.12232 179.9
[M+K]+ 316.05166 167.9
[M+H-H2O]+ 260.08576 154.5
[M+HCOO]- 322.08670 183.8
[M+CH3COO]- 336.10235 203.5
[M+Na-2H]- 298.06317 163.7
[M]+ 277.08795 167.0
[M]- 277.08905 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