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

1
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 157.9
[M+Na]+ 264.11410 164.5
[M-H]- 240.11760 162.0
[M+NH4]+ 259.15870 177.0
[M+K]+ 280.08804 163.4
[M+H-H2O]+ 224.12214 151.0
[M+HCOO]- 286.12308 176.2
[M+CH3COO]- 300.13873 198.4
[M+Na-2H]- 262.09955 158.6
[M]+ 241.12433 161.5
[M]- 241.12543 161.5
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