CID 175650

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

Structural Information

Molecular Formula
C11H19N3OS
SMILES
CCN(C)C(=O)NC1=CC(=NS1)C(C)(C)C
InChI
InChI=1S/C11H19N3OS/c1-6-14(5)10(15)12-9-7-8(13-16-9)11(2,3)4/h7H,6H2,1-5H3,(H,12,15)
InChIKey
AHUBPDOUQGPZGX-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-1,2-thiazol-5-yl)-1-ethyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.12488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13216 158.5
[M+Na]+ 264.11410 166.0
[M+NH4]+ 259.15870 165.5
[M+K]+ 280.08804 161.9
[M-H]- 240.11760 159.4
[M+Na-2H]- 262.09955 161.9
[M]+ 241.12433 160.0
[M]- 241.12543 160.0
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