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]+ 230.09578 152.0
[M+Na]+ 252.07772 159.4
[M+NH4]+ 247.12232 158.8
[M+K]+ 268.05166 155.8
[M-H]- 228.08122 152.8
[M+Na-2H]- 250.06317 155.2
[M]+ 229.08795 153.3
[M]- 229.08905 153.3
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