CID 175651

N'-(3-tert-butyl-5-isothiazolyl)-n,n-diethylurea

Structural Information

Molecular Formula
C12H21N3OS
SMILES
CCN(CC)C(=O)NC1=CC(=NS1)C(C)(C)C
InChI
InChI=1S/C12H21N3OS/c1-6-15(7-2)11(16)13-10-8-9(14-17-10)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKey
GYIHINZFYQWRMV-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-1,2-thiazol-5-yl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.14053 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14781 162.8
[M+Na]+ 278.12975 170.1
[M+NH4]+ 273.17435 169.6
[M+K]+ 294.10369 165.7
[M-H]- 254.13325 163.6
[M+Na-2H]- 276.11520 165.9
[M]+ 255.13998 164.2
[M]- 255.14108 164.2
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