CID 175652

N'-(3-tert-butyl-thiazolyl)-n-methyl-n-isopropylurea

Structural Information

Molecular Formula
C12H21N3OS
SMILES
CC(C)N(C)C(=O)NC1=CC(=NS1)C(C)(C)C
InChI
InChI=1S/C12H21N3OS/c1-8(2)15(6)11(16)13-10-7-9(14-17-10)12(3,4)5/h7-8H,1-6H3,(H,13,16)
InChIKey
LHLKCVOLMUHLPS-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-1,2-thiazol-5-yl)-1-methyl-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.14053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14781 162.6
[M+Na]+ 278.12975 169.6
[M+NH4]+ 273.17435 169.3
[M+K]+ 294.10369 166.1
[M-H]- 254.13325 163.3
[M+Na-2H]- 276.11520 165.5
[M]+ 255.13998 164.0
[M]- 255.14108 164.0
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