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 156.6
[M+Na]+ 266.09336 163.4
[M-H]- 242.09686 160.8
[M+NH4]+ 261.13796 175.5
[M+K]+ 282.06730 163.1
[M+H-H2O]+ 226.10140 149.8
[M+HCOO]- 288.10234 175.5
[M+CH3COO]- 302.11799 197.5
[M+Na-2H]- 264.07881 158.0
[M]+ 243.10359 161.2
[M]- 243.10469 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