CID 163650

N'-(3-tert-butyl-5-isothiazolyl)-n-methoxy-n-methylurea

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CC(C)(C)C1=NSC(=C1)NC(=O)N(C)OC
InChI
InChI=1S/C10H17N3O2S/c1-10(2,3)7-6-8(16-12-7)11-9(14)13(4)15-5/h6H,1-5H3,(H,11,14)
InChIKey
PNGMJJUDEOUWQT-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-1,2-thiazol-5-yl)-1-methoxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.10414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.111416 156.6
[M+Na]+ 266.093358 163.4
[M-H]- 242.096864 160.8
[M+NH4]+ 261.137963 175.5
[M+K]+ 282.067298 163.1
[M+H-H2O]+ 226.101400 149.8
[M+HCOO]- 288.102341 175.5
[M+CH3COO]- 302.117991 197.5
[M+Na-2H]- 264.078806 158.0
[M]+ 243.10359142 161.2
[M]- 243.10468858 161.2
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