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

3
Patents

243.10414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 157.1
[M+Na]+ 266.09336 164.3
[M+NH4]+ 261.13796 163.7
[M+K]+ 282.06730 161.0
[M-H]- 242.09686 157.5
[M+Na-2H]- 264.07881 160.3
[M]+ 243.10359 158.4
[M]- 243.10469 158.4
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