CID 175649

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

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CC(C)C1=NSC(=C1)NC(=O)N(C)OC
InChI
InChI=1S/C9H15N3O2S/c1-6(2)7-5-8(15-11-7)10-9(13)12(3)14-4/h5-6H,1-4H3,(H,10,13)
InChIKey
COFXPMJYMPWKST-UHFFFAOYSA-N
Compound name
1-methoxy-1-methyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.0885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.095776 151.9
[M+Na]+ 252.077718 158.4
[M-H]- 228.081224 156.0
[M+NH4]+ 247.122323 171.1
[M+K]+ 268.051658 158.3
[M+H-H2O]+ 212.085760 144.6
[M+HCOO]- 274.086701 171.5
[M+CH3COO]- 288.102351 195.7
[M+Na-2H]- 250.063166 151.8
[M]+ 229.08795142 156.1
[M]- 229.08904858 156.1
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